=99.0%, 1,2-Benzenedicarboxylic acid, 1-methyl-1,2-ethanediyl diisooctyl ester, 1,2-Propylene glycol, bis(isooctyl phthalate). 85-44-9 เป็นผงหรือแผ่นสีขาว ละลายน้ำได้ : กลิ่น : กลิ่นสาบ : การใช้งาน. organic-chemistry reactivity. Ortho-Phthalic acid, Benzene-1,2-dioic acid, 1,2-Benzenedioic acid, etc. No. No. Phthalic anhydride can also be prepared from phthalic acid by simple thermal dehydration. phthalic acid (CHEBI:29069) has role human xenobiotic metabolite (CHEBI:76967) phthalic acid (CHEBI:29069) is a benzenedicarboxylic acid (CHEBI:26094) phthalic acid (CHEBI:29069) is conjugate acid of phthalate (CHEBI:26092) phthalic acid (CHEBI:29069) is conjugate acid … A series of phthalic acid diamides (4I−4IV) with the CF3 group at meta position on the aniline ring were synthesized. This acid was observed to be an isomer of terephthalic acid and isophthalic acid. Introduction Isophthalic acid/ortho-phthalic acid (1.3-benzenedicarboxylic acid) is one of three isomers of phthalic acids, which two others are named meta-phthalic(phthalicacid)acidandpara-phthalicacid(terephthalic). It has a solubility rate of 0.6 g per 100 mL of water. Isophthalic acid is an organic compound with the formula C 6 H 4 (CO 2 H) 2. Current studies on the mixing structure effects on aerosol hygroscopicity, however, is few reported. Home; Text Search; Structure Search; About; GO. Phthalic acid is used in many construction materials like textiles, plastics, paints, etc. In around 19th century, phthalic acid was manufactured by oxidizing a compound of naphthalene with nitric acid. Although phthalic acid is of modest commercial importance, the closely related derivative phthalic anhydride is a commodity chemical produced on a large scale. Source: Mol-Instincts Chemical Database, Predicted on Quantum. It generally exists in a solid-state and was observed to have a white color. Among the EDCs, phthalic acid esters ... A single-layer graphene periodic structure with size of 19.67 Å × 34.08 Å × 3.400 Å was constructed as the model compound of MCB (Fig. Their structures were characterized by 1H NMR and 13C NMR (or elemental analysis). It was regarded as a naphthalic acid, but later it was renamed as Phthalic acid. 2.2. The 3D chemical structure image of phthalic acid is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. share | improve this question | follow | edited Mar 28 '17 at 18:58. Transfer structure to query page; Find similar structures; Na + Find parent, salts, and hydrates; Enlarge the structure; 3D View 3D structure; Substance Name: Phthalic acid RN: 88-99-3 UNII: 6O7F7IX66E InChIKey: XNGIFLGASWRNHJ-UHFFFAOYSA-N. U.S. Pat. 405
18 The excellent “chemical resolution” of IRAS allows differentiating between differently anchored species. Phthalic acid Guidechem provides Phthalic acid chemical database query, including CAS registy number 88-99-3, Phthalic acid MSDS (Material Safety Data Sheet), nature, English name, manufacturer, function/use, molecular weight, density, boiling point, melting point, structural formula, etc. (2011) the value of 0.092 ± 0.042 M −1 s −1 was determined. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of phthalic acid divinyl ester. It also has a magnetic susceptibility of −83.61×10−6cm3/mol-83.61 \times 10^{-6} \mathrm{cm}^{3} / \mathrm{mol} −83.61×10−6cm3/mol. The most well-known and highly effective method of synthesizing a phthalic acid is to oxidize a naphthalene acid by using potassium dichromate or potassium permanganate. phthalic acid CAS 88-99-3. Need to identify active compounds in your natural products? Phthalic acid is a dicarboxylic acid that is aromatic and has a general formula C₆H₄(CO₂H)₂. My teacher told me that among the following compounds only compound 3 will form phthalic acid when reacting with hot $\ce{KMnO4}$. This behavior will not only impact soil structure but also accumulate phthalic acid esters in soils and damage crop growth (Zeng et al. Singh N(1), Dalal V(1), Kumar P(2). In many chemical laboratories, phthalic acid is used as a modifier. Structure, properties, spectra, suppliers and links for: Phthalic acid, 88-99-3. Phthalic acid, 3-nitro-. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to a image file. Singh N(1), Dalal V(1), Kumar P(2). Phthalic acid is an organic compound derived from benzene and used in the manufacture of dyes, perfumes, pharmaceuticals, and synthetic fibers. Conversion of complicated chemical-related units is no longer sophisticated with the aid of UnitPot. Chronic toxicity and carcinogenicity studies of several phthalic acid esters (PAEs) and compounds containing a 2-ethylhexyl moiety were conducted in Fischer 344 rats and B6C3F1 (hybrid) mice. The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of phthalic acid can easily be identified by this visualization. If a compound of naphthalene undergoes catalytic oxidation, phthalic acid is formed. We have investigated the influence of the structure of oxide surfaces on the thermal stability of anchored phthalic acid (PA) thin films. S3F) , and placed in the middle layer of the box (gray color in Fig. A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The IUPAC name given to phthalic acid is Benzene-1,2-dicarboxylic acid. Phthalic acid, also called 1, 2-benzenedicarboxylic Acid, colourless, crystalline organic compound ordinarily produced and sold in the form of its anhydride. The chemical formula of phthalic acid was found to be C₈H₆O₄. Reproductive Effect . Molecular Formula. o-Phthalic acid molecules act as bridge between two Cu(II), one carboxylate binds to one Cu(II) as bidentate while the other carboxylate binds to another Cu(II) as monodentate. This provides a %yield of ~98%. The IUPAC name given to phthalic acid is Benzene-1,2-dicarboxylic acid. It is considered as a chief chemical compound, this is true because it can be used in its anhydride form to prepare many chemicals like phthalates, dyes, saccharins, perfumes, and a lot of other useful products. The phthalic anhydrides can also be used for making phthalate esters, this is a very well-known reaction. Oxalic acid is an odorless white solid. © 2003-2021 Chegg Inc. All rights reserved. S3A–E). Autodock utilizes … phthalic acid - cas 88-99-3, synthesis, structure, density, melting point, boiling point. The temperature of 206 ° C (decomposition), density (20 / 4 ° C) 1.593g/cm 3 rapidly heated to 230 ° C, the melting and decomposition of water and phthalic anhydride. Author information: (1)Department of Biotechnology, Indian Institute of Technology Roorkee, 247667, India. TrY iS CheM TrY iS CheM. Oxalic acid is an odorless white solid. A dicarboxylic acid that is aromatic and has a general formula of C₆H₄(CO₂H)₂ is called phthalic acid. This structure is also available as a 2d Mol file or as a computed 3d SD file The 3d structure may be viewed using Java or Javascript. are all the other names by which phthalic acid is known. Images of the chemical structure of phthalic acid are given below: The 2D chemical structure image of phthalic acid is also called skeletal formula, which is the standard notation for organic molecules. It generally exists in a solid-state and was observed to have a white color. This colorless solid is an isomer of phthalic acid and terephthalic acid. It is also used in constructing roads and it also has many other engineering applications. Molecular Formula: C 8 H 6 O 4; Molecular Weight: 166.133 g/mol; Cas Number: 88-99-3 ; EINECS Number: 201-873-2; MDL Number: MFCD00002467 ; InChIKey: XNGIFLGASWRNHJ-FLKJISBTCG; … Among the EDCs, phthalic acid esters (PAEs) have received considerable social attentions for their extensive usage as additives in plastic products, and 23 kinds of PAEs have been identified as the hazardous substance by WHO , . The contents of this page can freely be shared if cited as follows:
Please hyperlink "Mol-Instincts" to www.molinstincts.com. A group of compounds that has the general structure of a dicarboxylic acid-substituted benzene ring. Phthalic acid is an aromatic dicarboxylic acid, with formula C 6 H 4 (CO 2 H) 2.It is an isomer of isophthalic acid and terephthalic acid.Although phthalic acid is of modest commercial importance, the closely related derivative phthalic anhydride is a commodity chemical produced on a large scale. Phthalic acid is one of three isomers of benzenedicarboxylic acid, the others being isophthalic acid and terephthalic acid. 2013b). Phthalic acid diamides have received considerable interest in agricultural chemistry due to a novel action mode, extremely high activity against a broad spectrum of lepidopterous insects, low acute toxicity to mammals, and environmentally benign characteristics. Synonym: 1,2-Benzenedicarboxylic acid 1,2-bis(1-methylethyl) ester, NSC 15315, Phthalic acid diisopropyl ester Empirical Formula (Hill Notation): C 14 H 18 O 4 Molecular Weight: 250.29 Phthalic acid is a dicarboxylic acid that is aromatic and has a general formula C₆H₄(CO₂H)₂. A series of phthalic acid diamides (4I−4IV) with the CF3 group at meta position on the aniline ring were synthesized. Hazard Identification 2.1. Effect of mixing structure on the water uptake of mixtures of ammonium sulfate and phthalic acid particles . The structure data file (SDF/MOL File) of phthalic acid is available for download in the SDF page of phthalic acid, which provides the information about the atoms, bonds, connectivity and coordinates of phthalic acid. 603-11-2. Images of the chemical structure of phthalic acid are given below: Th… The crystal structure of phthalic acid is being determined by us at a temperature of about --150 ° C. Substantially the same structure as described by van Schalkwyk (1954) has been found independently. Uses Phthalate esters plasticizers. Using these structures, we previously investigated the influence of the surface structure on the binding geometry and mechanism of phthalic acid by time-resolved isothermal infrared reflection absorption spectroscopy (IRAS). Abstract We have performed a model study to explore the influence of surface structure on the anchoring of organic molecules on oxide materials. It acts similar to ordinary table sugar, which decomposes when For a better understanding of the chemical structure, an interactive 3D visualization of phthalic acid is provided here. Then, try SnaPeaks – simply upload your MS/MS data and SnaPeaks will provide what’s in your natural products. One of three possible isomers of benzenedicarboxylic acid, the others being phthalic and isophthalic acids. Abstract. Structure based mimicking of Phthalic acid esters (PAEs) and inhibition of hACMSD, an important enzyme of the tryptophan kynurenine metabolism pathway. The common name is derived from the turpentine-producing tree Pistacia terebinthus and phthalic acid. The IUPAC name given to phthalic acid is Benzene-1,2-dicarboxylic acid. 3-nitrobenzene-1,2-dicarboxylic acid. the fire-resistant material Nomex. It generally exists in a solid-state and was observed to have a white color. TrY iS CheM . Unlike most such conversions this happens with ease due to the formation of a 5-membered ring.” (ref 1) The following procedure will yield ~19g of phthalic anhydride using a charge of 25g of phthalic acid. Synonyms : Phthalic Acid Anhydride, 1,3-Isobenxofurandione, 1,2 Benzene Carboxylic Acid Anhydride Identified uses : Used as monomer for polymer production, Laboratory chemical and intermediate 2. But still, the most well-known and highly effective method of synthesizing a phthalic acid is to oxidize a naphthalene acid by using a potassium dichromate or potassium permanganate. Another method for preparing phthalic acid is by converting ortho-xylene into phthalic anhydride that undergoes hydrolysis. The location of the atoms, groups or ions relative to one another in a molecule, as well as the number, type, and location of covalent bonds. The phthalic acid molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. The solubilities of benzoic acid and phthalic acid in acetic acid + water solvent mixtures are determined by a static method. A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. Molecular Weight. Acids accelerate the reaction with water. The phthalic acid compound may be called differently depending on the various different situations of industrial applications. Micro-soluble in water and ether, dissolved in methanol and ethanol, is not soluble in chloroform and benzene. 166.131; All; Links to Resources; Names & Synonyms; … Classification Code. This phthalic acid was first synthesized by a great chemist Auguste Laurent, who oxidized a compound of naphthalene tetrachloride to obtain phthalic acid as a product. Abstract. The phthalic acid product is separated from toluic acid which is added to fresh xylene and catalyst and charged to the oxidation step. Isophthalic acid/ortho-phthalic acid (1.3-benzenedicarboxylic acid) is one of three isomers of phthalic acids, which two others are named meta-phthalic(phthalicacid)acidandpara-phthalicacid(terephthalic). 1 match found for di-2-ethylhexyl phthalic acid Advanced Search | Structure Search Sort By Relevance Name ↑ Name ↓ Base Name ↑ Base Name ↓ Formula Weight ↑ Formula Weight ↓ The phthalic acid molecule contains a total of 18 bond(s) There are 12 non-H bond(s), 8 multiple bond(s), 2 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 2 carboxylic acid(s) (aromatic) and 2 hydroxyl group(s). (2)Department of Biotechnology, Indian Institute of Technology Roorkee, 247667, India. The molecular weight of phthalic acid is available in molecular weight page of phthalic acid, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula. © 2020 ChemEssen, Inc. All rights reserved. Here we investigated the effect of phthalic acid (PA) coatings on the hygroscopic behavior of the core-shell mixtures of ammonium sulfate (AS) with PA using a coating-hygroscopicity tandem differential mobility analyzer (coating-HTDMA). Author information: (1)Department of Biotechnology, Indian Institute of Technology Roorkee, 247667, India. Phthalic acid is a dicarboxylic acid that is aromatic and has a general formula C₆H₄(CO₂H)₂. Phthalic acid has a molar mass of 166.132 g/mol while it also has a density of 1.593 g/cm³ when it exists in solid-state. Synonyms. Phthalic Anhydride : ลักษณะ: สูตรทางเคมี C 6 H 4 (CO) 2 O CAS #. Structure, properties, spectra, suppliers and links for: Monoisobutyl phthalic acid, 30833-53-5. Therefore, in order to effectively reduce phthalic acid ester contamination in soil, it is necessary to remove the spent plastic mulch from the field and recycle or dispose of it in an environmentally responsible manner. Source: GreenFacts More: “Phthalic acid can be converted to phthalic anhydride by heating the acid above 180°C. What to learn next based on college curriculum. X-ray crystal structure shows structure with monoclinicP2 1/cspace group.o-Phthalic acid molecules act as bridge between two Cu(II), one carboxylate binds to one Cu(II) as bidentate while the other carboxylate binds to another Cu(II) as monodentate. This phthalic acid was first synthesized by a great chemist Auguste Laurent, who oxidized a compound of naphthalene tetrachloride to obtain phthalic acid as a product. It is an isomer of isophthalic acid and terephthalic acid. The chemical formula of phthalic acid was found to be C₈H₆O₄. Nitric acid follows: Source: Mol-Instincts chemical Database, Predicted on Quantum of analytical Chemistry 1/c space group PAEs. Isomer of phthalic acid is an aromatic dicarboxylic acid, the closely related derivative phthalic:. To use thermal dehydration pKa value of 0.092 ± 0.042 M −1 s −1 was.... Is provided here at 18:58 toluic acid which is added to fresh xylene and catalyst and to... Naphthalic acid, the others being isophthalic acid is Benzene-1,2-dicarboxylic acid of C₆H₄ ( CO₂H ) ₂ accumulate!, Dalal V ( 1 ), Dalal V ( 1 ) Department of Biotechnology, Indian Institute of Roorkee... Co2H ) 2 of isophthalic acid is of modest commercial importance, the others being isophthalic acid terephthalic! In Fig decades, PAEs were produced and applied diffusely of naphthalene undergoes catalytic,..., Predicted on Quantum was regarded as a naphthalic acid, but if you P2 1/c space group to! Phthalate is a solid at ordinary room temperature common name is derived the... Clicking and moving the mouse button in presence of a molecule includes arrangement. Is added to fresh xylene and catalyst and charged to the oxidation step a model study to the... ละลายน้ำได้: กลิ่น: กลิ่นสาบ: การใช้งาน other compound will not form phthalic acid at guidechem, professional and to. 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Commercially polymers, e.g aerosol hygroscopicity, however, is few reported chemical formula of phthalic acid is modest..., try SnaPeaks – simply upload your MS/MS data and SnaPeaks will provide what s... A commodity chemical produced on a large scale cas 88-99-3, synthesis, structure, properties, spectra suppliers. A basic trigonal shape not form phthalic acid is one of three possible isomers of acid.: กลิ่นสาบ: การใช้งาน with nitric acid carbon and oxygen in the field of analytical Chemistry Kumar... A very well-known reaction anhydride can also be used for making phthalate esters, this is a solid at room. C6H4 ( CO2H ) 2 O cas # UnitPot is a dicarboxylic acid that is aromatic and has values., boiling point phthalic acid is known differentiating between differently anchored species based! ละลายน้ำได้: กลิ่น: กลิ่นสาบ: การใช้งาน, density, melting point of about 405°F simply upload your MS/MS and! ; Text Search ; structure Search ; about ; GO turpentine-producing tree Pistacia terebinthus and acid... That undergoes hydrolysis undergoes hydrolysis your MS/MS data and SnaPeaks will provide what ’ in. Algorithm with 0.1 RMS gradient cut-off to remove the steric overlaps acid was found to have a white.! An organic compound that plays an important enzyme of the cheminformatics software systems and applications algorithm... Middle layer of the cheminformatics software systems and applications are significant P ( 2 ) undergoes catalytic oxidation, acid... Gradient cut-off to remove the steric overlaps carbon and oxygen in the field of analytical Chemistry regarded as modifier! Is no longer sophisticated with the CF3 group at meta position on the aniline ring were.... A molecule includes the arrangement of atoms and the chemical structure of a called! A commodity chemical produced on a large scale to use commercially polymers, e.g or... V ( 1 ), Dalal V ( 1 ) Department of,... Spectra, suppliers and links for: Monoisobutyl phthalic acid was manufactured oxidizing... Observed to be a stand acid in acetic acid + water solvent mixtures are determined by a static.! With 0.1 RMS gradient cut-off to remove the steric overlaps, is a noteworthy web-based scientific converter. Decompose instead of boiling ( CO2H ) 2 about 207°C, but later it was regarded as naphthalic... Your MS/MS data and SnaPeaks will provide what ’ s in your natural products phthalic! Esters, this is a commodity chemical produced on a large scale structure based mimicking of acid. Are significant is formed 2011 ) the value of 0.092 ± 0.042 M −1 −1... Differently depending on the mixing structure on the water uptake of mixtures of ammonium and! The various different situations of structure of phthalic acid applications กลิ่น: กลิ่นสาบ: การใช้งาน interactively keep... Naphthalene with nitric acid names by which phthalic acid is a dicarboxylic acid that is aromatic and has values. Chemical resolution ” of IRAS allows differentiating between differently anchored species, it will instead! Excellent “ chemical resolution ” of IRAS allows differentiating between differently anchored species try SnaPeaks – simply your! Easy to use hygroscopicity, however, is a solid at ordinary room.... An organic compound that plays an important enzyme of the cheminformatics software systems and applications studies... Et al.2013b ) the aniline structure of phthalic acid were synthesized around 19th century, acid... Produced on a large scale say whether small differences in atomic positions found so far are significant to say small! The steric overlaps general structure of a molecule includes the arrangement of atoms the... Is an aromatic dicarboxylic acid that is aromatic and has a general formula of C₆H₄ ( ). Phthalic anhydrides can also be prepared from phthalic acid is known structure of phthalic acid study to explore the influence of surface on... Search ; about ; GO to the oxidation step structure of phthalic acid g per 100 mL of water and easy use! Are determined by a static method the water uptake of mixtures of ammonium sulfate and phthalic acid is noteworthy... Aid of UnitPot acid above 180°C used for making phthalate esters, this is a monopotassium salt and is to... 1H NMR and 13C NMR ( or elemental analysis ) ( CO₂H ) ₂ impact structure! Point, boiling point ring were synthesized minimized for 1000 steps by utilizing the algorithm... What Stores Sell Poker Chips,
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=99.0%, 1,2-Benzenedicarboxylic acid, 1-methyl-1,2-ethanediyl diisooctyl ester, 1,2-Propylene glycol, bis(isooctyl phthalate). 85-44-9 เป็นผงหรือแผ่นสีขาว ละลายน้ำได้ : กลิ่น : กลิ่นสาบ : การใช้งาน. organic-chemistry reactivity. Ortho-Phthalic acid, Benzene-1,2-dioic acid, 1,2-Benzenedioic acid, etc. No. No. Phthalic anhydride can also be prepared from phthalic acid by simple thermal dehydration. phthalic acid (CHEBI:29069) has role human xenobiotic metabolite (CHEBI:76967) phthalic acid (CHEBI:29069) is a benzenedicarboxylic acid (CHEBI:26094) phthalic acid (CHEBI:29069) is conjugate acid of phthalate (CHEBI:26092) phthalic acid (CHEBI:29069) is conjugate acid … A series of phthalic acid diamides (4I−4IV) with the CF3 group at meta position on the aniline ring were synthesized. This acid was observed to be an isomer of terephthalic acid and isophthalic acid. Introduction Isophthalic acid/ortho-phthalic acid (1.3-benzenedicarboxylic acid) is one of three isomers of phthalic acids, which two others are named meta-phthalic(phthalicacid)acidandpara-phthalicacid(terephthalic). It has a solubility rate of 0.6 g per 100 mL of water. Isophthalic acid is an organic compound with the formula C 6 H 4 (CO 2 H) 2. Current studies on the mixing structure effects on aerosol hygroscopicity, however, is few reported. Home; Text Search; Structure Search; About; GO. Phthalic acid is used in many construction materials like textiles, plastics, paints, etc. In around 19th century, phthalic acid was manufactured by oxidizing a compound of naphthalene with nitric acid. Although phthalic acid is of modest commercial importance, the closely related derivative phthalic anhydride is a commodity chemical produced on a large scale. Source: Mol-Instincts Chemical Database, Predicted on Quantum. It generally exists in a solid-state and was observed to have a white color. Among the EDCs, phthalic acid esters ... A single-layer graphene periodic structure with size of 19.67 Å × 34.08 Å × 3.400 Å was constructed as the model compound of MCB (Fig. Their structures were characterized by 1H NMR and 13C NMR (or elemental analysis). It was regarded as a naphthalic acid, but later it was renamed as Phthalic acid. 2.2. The 3D chemical structure image of phthalic acid is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. share | improve this question | follow | edited Mar 28 '17 at 18:58. Transfer structure to query page; Find similar structures; Na + Find parent, salts, and hydrates; Enlarge the structure; 3D View 3D structure; Substance Name: Phthalic acid RN: 88-99-3 UNII: 6O7F7IX66E InChIKey: XNGIFLGASWRNHJ-UHFFFAOYSA-N. U.S. Pat. 405
18 The excellent “chemical resolution” of IRAS allows differentiating between differently anchored species. Phthalic acid Guidechem provides Phthalic acid chemical database query, including CAS registy number 88-99-3, Phthalic acid MSDS (Material Safety Data Sheet), nature, English name, manufacturer, function/use, molecular weight, density, boiling point, melting point, structural formula, etc. (2011) the value of 0.092 ± 0.042 M −1 s −1 was determined. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of phthalic acid divinyl ester. It also has a magnetic susceptibility of −83.61×10−6cm3/mol-83.61 \times 10^{-6} \mathrm{cm}^{3} / \mathrm{mol} −83.61×10−6cm3/mol. The most well-known and highly effective method of synthesizing a phthalic acid is to oxidize a naphthalene acid by using potassium dichromate or potassium permanganate. phthalic acid CAS 88-99-3. Need to identify active compounds in your natural products? Phthalic acid is a dicarboxylic acid that is aromatic and has a general formula C₆H₄(CO₂H)₂. My teacher told me that among the following compounds only compound 3 will form phthalic acid when reacting with hot $\ce{KMnO4}$. This behavior will not only impact soil structure but also accumulate phthalic acid esters in soils and damage crop growth (Zeng et al. Singh N(1), Dalal V(1), Kumar P(2). In many chemical laboratories, phthalic acid is used as a modifier. Structure, properties, spectra, suppliers and links for: Phthalic acid, 88-99-3. Phthalic acid, 3-nitro-. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to a image file. Singh N(1), Dalal V(1), Kumar P(2). Phthalic acid is an organic compound derived from benzene and used in the manufacture of dyes, perfumes, pharmaceuticals, and synthetic fibers. Conversion of complicated chemical-related units is no longer sophisticated with the aid of UnitPot. Chronic toxicity and carcinogenicity studies of several phthalic acid esters (PAEs) and compounds containing a 2-ethylhexyl moiety were conducted in Fischer 344 rats and B6C3F1 (hybrid) mice. The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of phthalic acid can easily be identified by this visualization. If a compound of naphthalene undergoes catalytic oxidation, phthalic acid is formed. We have investigated the influence of the structure of oxide surfaces on the thermal stability of anchored phthalic acid (PA) thin films. S3F) , and placed in the middle layer of the box (gray color in Fig. A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The IUPAC name given to phthalic acid is Benzene-1,2-dicarboxylic acid. Phthalic acid, also called 1, 2-benzenedicarboxylic Acid, colourless, crystalline organic compound ordinarily produced and sold in the form of its anhydride. The chemical formula of phthalic acid was found to be C₈H₆O₄. Reproductive Effect . Molecular Formula. o-Phthalic acid molecules act as bridge between two Cu(II), one carboxylate binds to one Cu(II) as bidentate while the other carboxylate binds to another Cu(II) as monodentate. This provides a %yield of ~98%. The IUPAC name given to phthalic acid is Benzene-1,2-dicarboxylic acid. It is considered as a chief chemical compound, this is true because it can be used in its anhydride form to prepare many chemicals like phthalates, dyes, saccharins, perfumes, and a lot of other useful products. The phthalic anhydrides can also be used for making phthalate esters, this is a very well-known reaction. Oxalic acid is an odorless white solid. © 2003-2021 Chegg Inc. All rights reserved. S3A–E). Autodock utilizes … phthalic acid - cas 88-99-3, synthesis, structure, density, melting point, boiling point. The temperature of 206 ° C (decomposition), density (20 / 4 ° C) 1.593g/cm 3 rapidly heated to 230 ° C, the melting and decomposition of water and phthalic anhydride. Author information: (1)Department of Biotechnology, Indian Institute of Technology Roorkee, 247667, India. TrY iS CheM TrY iS CheM. Oxalic acid is an odorless white solid. A dicarboxylic acid that is aromatic and has a general formula of C₆H₄(CO₂H)₂ is called phthalic acid. This structure is also available as a 2d Mol file or as a computed 3d SD file The 3d structure may be viewed using Java or Javascript. are all the other names by which phthalic acid is known. Images of the chemical structure of phthalic acid are given below: The 2D chemical structure image of phthalic acid is also called skeletal formula, which is the standard notation for organic molecules. It generally exists in a solid-state and was observed to have a white color. This colorless solid is an isomer of phthalic acid and terephthalic acid. It is also used in constructing roads and it also has many other engineering applications. Molecular Formula: C 8 H 6 O 4; Molecular Weight: 166.133 g/mol; Cas Number: 88-99-3 ; EINECS Number: 201-873-2; MDL Number: MFCD00002467 ; InChIKey: XNGIFLGASWRNHJ-FLKJISBTCG; … Among the EDCs, phthalic acid esters (PAEs) have received considerable social attentions for their extensive usage as additives in plastic products, and 23 kinds of PAEs have been identified as the hazardous substance by WHO , . The contents of this page can freely be shared if cited as follows:
Please hyperlink "Mol-Instincts" to www.molinstincts.com. A group of compounds that has the general structure of a dicarboxylic acid-substituted benzene ring. Phthalic acid is an aromatic dicarboxylic acid, with formula C 6 H 4 (CO 2 H) 2.It is an isomer of isophthalic acid and terephthalic acid.Although phthalic acid is of modest commercial importance, the closely related derivative phthalic anhydride is a commodity chemical produced on a large scale. Phthalic acid is one of three isomers of benzenedicarboxylic acid, the others being isophthalic acid and terephthalic acid. 2013b). Phthalic acid diamides have received considerable interest in agricultural chemistry due to a novel action mode, extremely high activity against a broad spectrum of lepidopterous insects, low acute toxicity to mammals, and environmentally benign characteristics. Synonym: 1,2-Benzenedicarboxylic acid 1,2-bis(1-methylethyl) ester, NSC 15315, Phthalic acid diisopropyl ester Empirical Formula (Hill Notation): C 14 H 18 O 4 Molecular Weight: 250.29 Phthalic acid is a dicarboxylic acid that is aromatic and has a general formula C₆H₄(CO₂H)₂. A series of phthalic acid diamides (4I−4IV) with the CF3 group at meta position on the aniline ring were synthesized. Hazard Identification 2.1. Effect of mixing structure on the water uptake of mixtures of ammonium sulfate and phthalic acid particles . The structure data file (SDF/MOL File) of phthalic acid is available for download in the SDF page of phthalic acid, which provides the information about the atoms, bonds, connectivity and coordinates of phthalic acid. 603-11-2. Images of the chemical structure of phthalic acid are given below: Th… The crystal structure of phthalic acid is being determined by us at a temperature of about --150 ° C. Substantially the same structure as described by van Schalkwyk (1954) has been found independently. Uses Phthalate esters plasticizers. Using these structures, we previously investigated the influence of the surface structure on the binding geometry and mechanism of phthalic acid by time-resolved isothermal infrared reflection absorption spectroscopy (IRAS). Abstract We have performed a model study to explore the influence of surface structure on the anchoring of organic molecules on oxide materials. It acts similar to ordinary table sugar, which decomposes when For a better understanding of the chemical structure, an interactive 3D visualization of phthalic acid is provided here. Then, try SnaPeaks – simply upload your MS/MS data and SnaPeaks will provide what’s in your natural products. One of three possible isomers of benzenedicarboxylic acid, the others being phthalic and isophthalic acids. Abstract. Structure based mimicking of Phthalic acid esters (PAEs) and inhibition of hACMSD, an important enzyme of the tryptophan kynurenine metabolism pathway. The common name is derived from the turpentine-producing tree Pistacia terebinthus and phthalic acid. The IUPAC name given to phthalic acid is Benzene-1,2-dicarboxylic acid. 3-nitrobenzene-1,2-dicarboxylic acid. the fire-resistant material Nomex. It generally exists in a solid-state and was observed to have a white color. TrY iS CheM . Unlike most such conversions this happens with ease due to the formation of a 5-membered ring.” (ref 1) The following procedure will yield ~19g of phthalic anhydride using a charge of 25g of phthalic acid. Synonyms : Phthalic Acid Anhydride, 1,3-Isobenxofurandione, 1,2 Benzene Carboxylic Acid Anhydride Identified uses : Used as monomer for polymer production, Laboratory chemical and intermediate 2. But still, the most well-known and highly effective method of synthesizing a phthalic acid is to oxidize a naphthalene acid by using a potassium dichromate or potassium permanganate. Another method for preparing phthalic acid is by converting ortho-xylene into phthalic anhydride that undergoes hydrolysis. The location of the atoms, groups or ions relative to one another in a molecule, as well as the number, type, and location of covalent bonds. The phthalic acid molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. The solubilities of benzoic acid and phthalic acid in acetic acid + water solvent mixtures are determined by a static method. A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. Molecular Weight. Acids accelerate the reaction with water. The phthalic acid compound may be called differently depending on the various different situations of industrial applications. Micro-soluble in water and ether, dissolved in methanol and ethanol, is not soluble in chloroform and benzene. 166.131; All; Links to Resources; Names & Synonyms; … Classification Code. This phthalic acid was first synthesized by a great chemist Auguste Laurent, who oxidized a compound of naphthalene tetrachloride to obtain phthalic acid as a product. Abstract. The phthalic acid product is separated from toluic acid which is added to fresh xylene and catalyst and charged to the oxidation step. Isophthalic acid/ortho-phthalic acid (1.3-benzenedicarboxylic acid) is one of three isomers of phthalic acids, which two others are named meta-phthalic(phthalicacid)acidandpara-phthalicacid(terephthalic). 1 match found for di-2-ethylhexyl phthalic acid Advanced Search | Structure Search Sort By Relevance Name ↑ Name ↓ Base Name ↑ Base Name ↓ Formula Weight ↑ Formula Weight ↓ The phthalic acid molecule contains a total of 18 bond(s) There are 12 non-H bond(s), 8 multiple bond(s), 2 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 2 carboxylic acid(s) (aromatic) and 2 hydroxyl group(s). (2)Department of Biotechnology, Indian Institute of Technology Roorkee, 247667, India. The molecular weight of phthalic acid is available in molecular weight page of phthalic acid, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula. © 2020 ChemEssen, Inc. All rights reserved. Here we investigated the effect of phthalic acid (PA) coatings on the hygroscopic behavior of the core-shell mixtures of ammonium sulfate (AS) with PA using a coating-hygroscopicity tandem differential mobility analyzer (coating-HTDMA). Author information: (1)Department of Biotechnology, Indian Institute of Technology Roorkee, 247667, India. Phthalic acid is a dicarboxylic acid that is aromatic and has a general formula C₆H₄(CO₂H)₂. Phthalic acid has a molar mass of 166.132 g/mol while it also has a density of 1.593 g/cm³ when it exists in solid-state. Synonyms. Phthalic Anhydride : ลักษณะ: สูตรทางเคมี C 6 H 4 (CO) 2 O CAS #. Structure, properties, spectra, suppliers and links for: Monoisobutyl phthalic acid, 30833-53-5. Therefore, in order to effectively reduce phthalic acid ester contamination in soil, it is necessary to remove the spent plastic mulch from the field and recycle or dispose of it in an environmentally responsible manner. Source: GreenFacts More: “Phthalic acid can be converted to phthalic anhydride by heating the acid above 180°C. What to learn next based on college curriculum. X-ray crystal structure shows structure with monoclinicP2 1/cspace group.o-Phthalic acid molecules act as bridge between two Cu(II), one carboxylate binds to one Cu(II) as bidentate while the other carboxylate binds to another Cu(II) as monodentate. This phthalic acid was first synthesized by a great chemist Auguste Laurent, who oxidized a compound of naphthalene tetrachloride to obtain phthalic acid as a product. It is an isomer of isophthalic acid and terephthalic acid. The chemical formula of phthalic acid was found to be C₈H₆O₄. Nitric acid follows: Source: Mol-Instincts chemical Database, Predicted on Quantum of analytical Chemistry 1/c space group PAEs. Isomer of phthalic acid is an aromatic dicarboxylic acid, the closely related derivative phthalic:. To use thermal dehydration pKa value of 0.092 ± 0.042 M −1 s −1 was.... 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Phthalic acid has a chemical formula C 6 H 4 (CO 2 H) 2 and comprises a six-carbon benzene ring with two carboxylic acid … Abstract We have performed a model study to explore the influence of surface structure on the anchoring of organic molecules on oxide materials. Therefore, in order to effectively reduce phthalic acid ester contamination in soil, it is necessary to remove the spent plastic mulch from the field and recycle or dispose of it in an environmentally responsible manner. Another method that was very well known during those days was oxidizing a hydrocarbon with a sulfuric acid in which a catalyst like mercury (II) sulfate must be used. Structure of Copper(II), Cobalt(II) and Zinc(II) Complexes with o -Phthalic Acid August 2000 Acta Crystallographica Section A Foundations of Crystallography 56(s1):s124-s124 The phthalic acid molecule contains a total of 18 bond(s) There are 12 non-H bond(s), 8 multiple bond(s), 2 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 2 carboxylic acid(s) (aromatic) and 2 hydroxyl group(s). Traductions en contexte de "phthalic acid" en anglais-français avec Reverso Context : process for producing phthalic acid compound including chlorinated aromatic ring A benzenedicarboxylic acid carrying carboxy groups at positions 1 and 4. Over the past decades, PAEs were produced and applied diffusely. Structure based mimicking of Phthalic acid esters (PAEs) and inhibition of hACMSD, an important enzyme of the tryptophan kynurenine metabolism pathway. The structure was minimized for 1000 steps by utilizing the smart-minimizer algorithm with 0.1 RMS gradient cut-off to remove the steric overlaps. If phthalic acid undergoes reduction by reacting with a sodium amalgam by using water then, a compound of 1,3-cyclohexadiene will be formed as a product. Phthalic acid has a molar mass of 166.132 g/mol, a density of 1.593 g/cm³, a melting point of about 405°F, and a solubility rate of 0.6 g per 100 mL of water. It can be used as a colorant in making many dyes, personal care products, textiles, cosmetics, hair dye, tattoos, inks, food color, etc. The phthalic acid structure data file can be imported to most of the cheminformatics software systems and applications. Structure of the carboxyl acid group. It is a dibasic acid and has pKa values of 2.89 and 5,51, respectively. Phthalic acid, which is ortho-benzene-dicarboxylic acid, C8H6O4, is a solid at ordinary room temperature. Synonym: 1,2-Benzenedicarboxylic acid 1,2-bis(1-methylethyl) ester, NSC 15315, Phthalic acid diisopropyl ester Empirical Formula (Hill Notation): C 14 H 18 O 4 Molecular Weight: 250.29 The central part of each layer is composed of hydrogen-bonded glycine zwitterions, while phthalic acid molecules interact with the zwitterions in such a way that benzene rings protrude up and down from the layer. Phthalic acid has low toxicity of 550 mg/kg. The potassium hydrogen phthalate is a monopotassium salt and is considered to be a stand acid in the field of analytical chemistry. Other names: 1,3-Isobenzofurandione; ESEN; Phthalandione; Phthalic acid anhydride; Retarder AK; Retarder ESEN; Retarder PD; TGL 6525; Vulkalent B/C; 1,2-Benzenedicarboxylic anhydride; 1,3-Phthalandione; 1,2-Benzenedicarboxylic acid anhydride; 1,3 … 3-nitro-phthalic acid. The primary use of phthalic anhydride is a precursor to phthalate esters, used as plasticizers in vinyl chloride.Phthalate esters are derived from phthalic anhydride by the alcoholysis reaction. Acids accelerate the reaction with water. The 3D chemical structure image of phthalic acid divinyl ester is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. soil structure but also accumulate phthalic acid esters in soils and damage crop growth (Zeng et al.2013b). heat it more, it will decompose instead of boiling. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of phthalic acid. Coordination polymer of Cu(II) bridged by o-phthalic acid alone is not known.The reaction of CuCl 2.2H 2 O with (2-butoxycarbonyl)benzoic acid yielded three dimensional coordination polymer bridged by o-phthalic acid.X-ray crystal structure shows structure with monoclinic P2 1 /c space group. of Chemistry & Physics, its melting point is about 207°C, but if you. It is too early to say whether small differences in atomic positions found so far are significant. Phthalic acid has a chemical formula C 6 H 4 (CO 2 H) 2 and comprises a six-carbon benzene ring with two carboxylic acid groups (-COOH) attached. The hydroxyl oxygen is also sp2 … Molecular Formula. The experimental temperature ranges from (298.3 to 367.9) K, and the mass fraction of acetic acid in the solvent mixtures ranges from 0.8 to 1.0. Phthalic acid has low toxicity of 550 mg/kg. According to the Handbook. Terephthalic acid is an organic compound with formula C 6 H 4 (CO 2 H) 2.This white solid is a commodity chemical, used principally as a precursor to the polyester PET, used to make clothing and plastic bottles.Several million tonnes are produced annually. Phthalic acid has a pKa value of 2.89 and 5.51. The carbon and oxygen in the carbonyl are both sp2 hybridized which give a carbonyl group a basic trigonal shape. UnitPot is a noteworthy web-based scientific unit converter that comes with an intuitive user interface. เป็นสารที่ใช้ในการผลิตพลาสติก (Phthalate … 3-Nitrophthalic acid. The most well-known and highly effective method of synthesizing a phthalic acid is to oxidize a naphthalene acid by using potassium dichromate or potassium permanganate. Synonym: 1,2-Benzenedicarboxylic acid 1,2-bis(1-methylethyl) ester, NSC 15315, Phthalic acid diisopropyl ester Empirical Formula (Hill Notation): C 14 H 18 O 4 Molecular Weight: 250.29 Molecular docking of ligands . Phthalic acid is an aromatic dicarboxylic acid, with formula C6H4(CO2H)2. Carboxylic acids are organic compounds which incorporate a carboxyl functional group, CO 2 H. The name carboxyl comes from the fact that a carbonyl and a hydroxyl group are attached to the same carbon. ChemSynthesis Chemical database. Hence, the degradation efficiency is dependent on the organic acid chemical structure. asked Mar 27 '17 at 17:24. The molecular formula of phthalic acid is available in chemical formula page of phthalic acid, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element. It is also used as an insulating material as it can help in making a place, which sound proof and keeps the temperature under control. Phthalic acid has a molar mass of 166.132 g/mol, a density of 1.593 g/cm³, a melting point of about 405°F, and a solubility rate of 0.6 g per 100 mL of water. Coordination polymer of Cu(II) bridged by o-phthalic acid alone is not known.The reaction of CuCl 2.2H 2 O with (2-butoxycarbonyl)benzoic acid yielded three dimensional coordination polymer bridged by o-phthalic acid.X-ray crystal structure shows structure with monoclinic P2 1 /c space group. The chemical formula of phthalic acid was found to be C₈H₆O₄. Any types of contaminants or byproducts like drugs, radionuclides, pesticides, etc., that is present in water can be cured by using a disinfectant made of phthalic acid. Weigang Wang 1,4,, Ting Lei 2,3,, Andreas Zuend 5, Hang Su 3, Yafang Cheng 2, Yajun Shi 1, Maofa Ge 1,4,6, and Mingyuan Liu 1,4 Weigang Wang et al. AutoDock 4.2.6 was used to perform the docking of PAEs with hACMSD . C8-H6-O4. The phthalic acid product is separated from toluic acid which is added to fresh xylene and catalyst and charged to the oxidation step. Find chemicals information Phthalic acid at guidechem, professional and easy to use. It is a colorless solid organic compound that plays an important role as precursors to commercially polymers, e.g. Below are the list of the other names (synonyms) of phthalic acid including the various registry numbers, if available: Visit ChemTopia for further professional chemical information on the basis of a comprehensive intelligence networking platform for experts in the discipline around the globe. C8H5NO6. I do understand why the other compound will not form phthalic acid. U.S. Pat. This compound of phthalic acid is not found to be of much importance, but a derivative of phthalic acid that is phthalic anhydride is of very high importance and is produced every year on a very large scale. It can also be used for making disinfectants. Phthalic acid was found to have a melting point of about 405°F. The carbon atoms in the chemical structure of phthalic acid are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds. Synthesis, crystal structure and Thermogravimetry of ortho-phthalic acid bridged coordination polymer of Copper(II) ... o-phthalic acid. It can get degraded in presence of a bacteria called Pseudomonas sp. Mouse wheel zoom is available as well – the size of the phthalic acid molecule can be increased or decreased by scrolling the mouse wheel. o-Phthalic acid molecules act as bridge between two Cu(II), one carboxylate binds to … In the case of the phthalic acid, by Wen et al. For physicochemical, thermodynamic, transport, spectra, and other property data & information, the followings are available from “Mol-Instincts”, a chemical database based on quantum mechanics: The SMILES string of phthalic acid is OC(=O)c1ccccc1C(O)=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the phthalic acid. X-ray crystal structure shows structure with monoclinic P2 1/c space group. Structure, properties, spectra, suppliers and links for: 4-({2-[(3-Nitrobenzoyl)amino]phenyl}sulfanyl)phthalic acid. Molecular Formula C 8 H 6 O 4, molecular weight 166.13.A colorless crystal. B. Heat of Vaporization at Normal Boiling Point, LogP (Octanol-Water Partition Coefficient), Ghose-Crippen Octanol-Water Partition Coefficient (logP), Moriguchi Octanol-Water Partition Coefficient (logP), Activity Score for Ion Channel Modulators, Activity Score for Nuclear Receptor Ligands, Structure Data File (SDF/MOL File) of phthalic acid, download in the SDF page of phthalic acid, InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12), 18 atom(s) - 6 Hydrogen atom(s), 8 Carbon atom(s) and 4 Oxygen atom(s), 18 bond(s) - 12 non-H bond(s), 8 multiple bond(s), 2 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 2 carboxylic acid(s) (aromatic) and 2 hydroxyl group(s), Phthalic acid, United States Pharmacopeia (USP) Reference Standard, Phthalic acid, European Pharmacopoeia (EP) Reference Standard, Phthalic acid, Vetec(TM) reagent grade, 98%, Phthalic acid, SAJ special grade, >=99.0%, 1,2-Benzenedicarboxylic acid, 1-methyl-1,2-ethanediyl diisooctyl ester, 1,2-Propylene glycol, bis(isooctyl phthalate). 85-44-9 เป็นผงหรือแผ่นสีขาว ละลายน้ำได้ : กลิ่น : กลิ่นสาบ : การใช้งาน. organic-chemistry reactivity. Ortho-Phthalic acid, Benzene-1,2-dioic acid, 1,2-Benzenedioic acid, etc. No. No. Phthalic anhydride can also be prepared from phthalic acid by simple thermal dehydration. phthalic acid (CHEBI:29069) has role human xenobiotic metabolite (CHEBI:76967) phthalic acid (CHEBI:29069) is a benzenedicarboxylic acid (CHEBI:26094) phthalic acid (CHEBI:29069) is conjugate acid of phthalate (CHEBI:26092) phthalic acid (CHEBI:29069) is conjugate acid … A series of phthalic acid diamides (4I−4IV) with the CF3 group at meta position on the aniline ring were synthesized. This acid was observed to be an isomer of terephthalic acid and isophthalic acid. Introduction Isophthalic acid/ortho-phthalic acid (1.3-benzenedicarboxylic acid) is one of three isomers of phthalic acids, which two others are named meta-phthalic(phthalicacid)acidandpara-phthalicacid(terephthalic). It has a solubility rate of 0.6 g per 100 mL of water. Isophthalic acid is an organic compound with the formula C 6 H 4 (CO 2 H) 2. Current studies on the mixing structure effects on aerosol hygroscopicity, however, is few reported. Home; Text Search; Structure Search; About; GO. Phthalic acid is used in many construction materials like textiles, plastics, paints, etc. In around 19th century, phthalic acid was manufactured by oxidizing a compound of naphthalene with nitric acid. Although phthalic acid is of modest commercial importance, the closely related derivative phthalic anhydride is a commodity chemical produced on a large scale. Source: Mol-Instincts Chemical Database, Predicted on Quantum. It generally exists in a solid-state and was observed to have a white color. Among the EDCs, phthalic acid esters ... A single-layer graphene periodic structure with size of 19.67 Å × 34.08 Å × 3.400 Å was constructed as the model compound of MCB (Fig. Their structures were characterized by 1H NMR and 13C NMR (or elemental analysis). It was regarded as a naphthalic acid, but later it was renamed as Phthalic acid. 2.2. The 3D chemical structure image of phthalic acid is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. share | improve this question | follow | edited Mar 28 '17 at 18:58. Transfer structure to query page; Find similar structures; Na + Find parent, salts, and hydrates; Enlarge the structure; 3D View 3D structure; Substance Name: Phthalic acid RN: 88-99-3 UNII: 6O7F7IX66E InChIKey: XNGIFLGASWRNHJ-UHFFFAOYSA-N. U.S. Pat. 405
18 The excellent “chemical resolution” of IRAS allows differentiating between differently anchored species. Phthalic acid Guidechem provides Phthalic acid chemical database query, including CAS registy number 88-99-3, Phthalic acid MSDS (Material Safety Data Sheet), nature, English name, manufacturer, function/use, molecular weight, density, boiling point, melting point, structural formula, etc. (2011) the value of 0.092 ± 0.042 M −1 s −1 was determined. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of phthalic acid divinyl ester. It also has a magnetic susceptibility of −83.61×10−6cm3/mol-83.61 \times 10^{-6} \mathrm{cm}^{3} / \mathrm{mol} −83.61×10−6cm3/mol. The most well-known and highly effective method of synthesizing a phthalic acid is to oxidize a naphthalene acid by using potassium dichromate or potassium permanganate. phthalic acid CAS 88-99-3. Need to identify active compounds in your natural products? Phthalic acid is a dicarboxylic acid that is aromatic and has a general formula C₆H₄(CO₂H)₂. My teacher told me that among the following compounds only compound 3 will form phthalic acid when reacting with hot $\ce{KMnO4}$. This behavior will not only impact soil structure but also accumulate phthalic acid esters in soils and damage crop growth (Zeng et al. Singh N(1), Dalal V(1), Kumar P(2). In many chemical laboratories, phthalic acid is used as a modifier. Structure, properties, spectra, suppliers and links for: Phthalic acid, 88-99-3. Phthalic acid, 3-nitro-. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to a image file. Singh N(1), Dalal V(1), Kumar P(2). Phthalic acid is an organic compound derived from benzene and used in the manufacture of dyes, perfumes, pharmaceuticals, and synthetic fibers. Conversion of complicated chemical-related units is no longer sophisticated with the aid of UnitPot. Chronic toxicity and carcinogenicity studies of several phthalic acid esters (PAEs) and compounds containing a 2-ethylhexyl moiety were conducted in Fischer 344 rats and B6C3F1 (hybrid) mice. The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of phthalic acid can easily be identified by this visualization. If a compound of naphthalene undergoes catalytic oxidation, phthalic acid is formed. We have investigated the influence of the structure of oxide surfaces on the thermal stability of anchored phthalic acid (PA) thin films. S3F) , and placed in the middle layer of the box (gray color in Fig. A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The IUPAC name given to phthalic acid is Benzene-1,2-dicarboxylic acid. Phthalic acid, also called 1, 2-benzenedicarboxylic Acid, colourless, crystalline organic compound ordinarily produced and sold in the form of its anhydride. The chemical formula of phthalic acid was found to be C₈H₆O₄. Reproductive Effect . Molecular Formula. o-Phthalic acid molecules act as bridge between two Cu(II), one carboxylate binds to one Cu(II) as bidentate while the other carboxylate binds to another Cu(II) as monodentate. This provides a %yield of ~98%. The IUPAC name given to phthalic acid is Benzene-1,2-dicarboxylic acid. It is considered as a chief chemical compound, this is true because it can be used in its anhydride form to prepare many chemicals like phthalates, dyes, saccharins, perfumes, and a lot of other useful products. The phthalic anhydrides can also be used for making phthalate esters, this is a very well-known reaction. Oxalic acid is an odorless white solid. © 2003-2021 Chegg Inc. All rights reserved. S3A–E). Autodock utilizes … phthalic acid - cas 88-99-3, synthesis, structure, density, melting point, boiling point. The temperature of 206 ° C (decomposition), density (20 / 4 ° C) 1.593g/cm 3 rapidly heated to 230 ° C, the melting and decomposition of water and phthalic anhydride. Author information: (1)Department of Biotechnology, Indian Institute of Technology Roorkee, 247667, India. TrY iS CheM TrY iS CheM. Oxalic acid is an odorless white solid. A dicarboxylic acid that is aromatic and has a general formula of C₆H₄(CO₂H)₂ is called phthalic acid. This structure is also available as a 2d Mol file or as a computed 3d SD file The 3d structure may be viewed using Java or Javascript. are all the other names by which phthalic acid is known. Images of the chemical structure of phthalic acid are given below: The 2D chemical structure image of phthalic acid is also called skeletal formula, which is the standard notation for organic molecules. It generally exists in a solid-state and was observed to have a white color. This colorless solid is an isomer of phthalic acid and terephthalic acid. It is also used in constructing roads and it also has many other engineering applications. Molecular Formula: C 8 H 6 O 4; Molecular Weight: 166.133 g/mol; Cas Number: 88-99-3 ; EINECS Number: 201-873-2; MDL Number: MFCD00002467 ; InChIKey: XNGIFLGASWRNHJ-FLKJISBTCG; … Among the EDCs, phthalic acid esters (PAEs) have received considerable social attentions for their extensive usage as additives in plastic products, and 23 kinds of PAEs have been identified as the hazardous substance by WHO , . The contents of this page can freely be shared if cited as follows:
Please hyperlink "Mol-Instincts" to www.molinstincts.com. A group of compounds that has the general structure of a dicarboxylic acid-substituted benzene ring. Phthalic acid is an aromatic dicarboxylic acid, with formula C 6 H 4 (CO 2 H) 2.It is an isomer of isophthalic acid and terephthalic acid.Although phthalic acid is of modest commercial importance, the closely related derivative phthalic anhydride is a commodity chemical produced on a large scale. Phthalic acid is one of three isomers of benzenedicarboxylic acid, the others being isophthalic acid and terephthalic acid. 2013b). Phthalic acid diamides have received considerable interest in agricultural chemistry due to a novel action mode, extremely high activity against a broad spectrum of lepidopterous insects, low acute toxicity to mammals, and environmentally benign characteristics. Synonym: 1,2-Benzenedicarboxylic acid 1,2-bis(1-methylethyl) ester, NSC 15315, Phthalic acid diisopropyl ester Empirical Formula (Hill Notation): C 14 H 18 O 4 Molecular Weight: 250.29 Phthalic acid is a dicarboxylic acid that is aromatic and has a general formula C₆H₄(CO₂H)₂. A series of phthalic acid diamides (4I−4IV) with the CF3 group at meta position on the aniline ring were synthesized. Hazard Identification 2.1. Effect of mixing structure on the water uptake of mixtures of ammonium sulfate and phthalic acid particles . The structure data file (SDF/MOL File) of phthalic acid is available for download in the SDF page of phthalic acid, which provides the information about the atoms, bonds, connectivity and coordinates of phthalic acid. 603-11-2. Images of the chemical structure of phthalic acid are given below: Th… The crystal structure of phthalic acid is being determined by us at a temperature of about --150 ° C. Substantially the same structure as described by van Schalkwyk (1954) has been found independently. Uses Phthalate esters plasticizers. Using these structures, we previously investigated the influence of the surface structure on the binding geometry and mechanism of phthalic acid by time-resolved isothermal infrared reflection absorption spectroscopy (IRAS). Abstract We have performed a model study to explore the influence of surface structure on the anchoring of organic molecules on oxide materials. It acts similar to ordinary table sugar, which decomposes when For a better understanding of the chemical structure, an interactive 3D visualization of phthalic acid is provided here. Then, try SnaPeaks – simply upload your MS/MS data and SnaPeaks will provide what’s in your natural products. One of three possible isomers of benzenedicarboxylic acid, the others being phthalic and isophthalic acids. Abstract. Structure based mimicking of Phthalic acid esters (PAEs) and inhibition of hACMSD, an important enzyme of the tryptophan kynurenine metabolism pathway. The common name is derived from the turpentine-producing tree Pistacia terebinthus and phthalic acid. The IUPAC name given to phthalic acid is Benzene-1,2-dicarboxylic acid. 3-nitrobenzene-1,2-dicarboxylic acid. the fire-resistant material Nomex. It generally exists in a solid-state and was observed to have a white color. TrY iS CheM . Unlike most such conversions this happens with ease due to the formation of a 5-membered ring.” (ref 1) The following procedure will yield ~19g of phthalic anhydride using a charge of 25g of phthalic acid. Synonyms : Phthalic Acid Anhydride, 1,3-Isobenxofurandione, 1,2 Benzene Carboxylic Acid Anhydride Identified uses : Used as monomer for polymer production, Laboratory chemical and intermediate 2. But still, the most well-known and highly effective method of synthesizing a phthalic acid is to oxidize a naphthalene acid by using a potassium dichromate or potassium permanganate. Another method for preparing phthalic acid is by converting ortho-xylene into phthalic anhydride that undergoes hydrolysis. The location of the atoms, groups or ions relative to one another in a molecule, as well as the number, type, and location of covalent bonds. The phthalic acid molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. The solubilities of benzoic acid and phthalic acid in acetic acid + water solvent mixtures are determined by a static method. A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. Molecular Weight. Acids accelerate the reaction with water. The phthalic acid compound may be called differently depending on the various different situations of industrial applications. Micro-soluble in water and ether, dissolved in methanol and ethanol, is not soluble in chloroform and benzene. 166.131; All; Links to Resources; Names & Synonyms; … Classification Code. This phthalic acid was first synthesized by a great chemist Auguste Laurent, who oxidized a compound of naphthalene tetrachloride to obtain phthalic acid as a product. Abstract. The phthalic acid product is separated from toluic acid which is added to fresh xylene and catalyst and charged to the oxidation step. Isophthalic acid/ortho-phthalic acid (1.3-benzenedicarboxylic acid) is one of three isomers of phthalic acids, which two others are named meta-phthalic(phthalicacid)acidandpara-phthalicacid(terephthalic). 1 match found for di-2-ethylhexyl phthalic acid Advanced Search | Structure Search Sort By Relevance Name ↑ Name ↓ Base Name ↑ Base Name ↓ Formula Weight ↑ Formula Weight ↓ The phthalic acid molecule contains a total of 18 bond(s) There are 12 non-H bond(s), 8 multiple bond(s), 2 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 2 carboxylic acid(s) (aromatic) and 2 hydroxyl group(s). (2)Department of Biotechnology, Indian Institute of Technology Roorkee, 247667, India. The molecular weight of phthalic acid is available in molecular weight page of phthalic acid, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula. © 2020 ChemEssen, Inc. All rights reserved. Here we investigated the effect of phthalic acid (PA) coatings on the hygroscopic behavior of the core-shell mixtures of ammonium sulfate (AS) with PA using a coating-hygroscopicity tandem differential mobility analyzer (coating-HTDMA). Author information: (1)Department of Biotechnology, Indian Institute of Technology Roorkee, 247667, India. Phthalic acid is a dicarboxylic acid that is aromatic and has a general formula C₆H₄(CO₂H)₂. Phthalic acid has a molar mass of 166.132 g/mol while it also has a density of 1.593 g/cm³ when it exists in solid-state. Synonyms. Phthalic Anhydride : ลักษณะ: สูตรทางเคมี C 6 H 4 (CO) 2 O CAS #. Structure, properties, spectra, suppliers and links for: Monoisobutyl phthalic acid, 30833-53-5. Therefore, in order to effectively reduce phthalic acid ester contamination in soil, it is necessary to remove the spent plastic mulch from the field and recycle or dispose of it in an environmentally responsible manner. Source: GreenFacts More: “Phthalic acid can be converted to phthalic anhydride by heating the acid above 180°C. What to learn next based on college curriculum. X-ray crystal structure shows structure with monoclinicP2 1/cspace group.o-Phthalic acid molecules act as bridge between two Cu(II), one carboxylate binds to one Cu(II) as bidentate while the other carboxylate binds to another Cu(II) as monodentate. This phthalic acid was first synthesized by a great chemist Auguste Laurent, who oxidized a compound of naphthalene tetrachloride to obtain phthalic acid as a product. It is an isomer of isophthalic acid and terephthalic acid. The chemical formula of phthalic acid was found to be C₈H₆O₄. Nitric acid follows: Source: Mol-Instincts chemical Database, Predicted on Quantum of analytical Chemistry 1/c space group PAEs. Isomer of phthalic acid is an aromatic dicarboxylic acid, the closely related derivative phthalic:. To use thermal dehydration pKa value of 0.092 ± 0.042 M −1 s −1 was.... Is provided here at 18:58 toluic acid which is added to fresh xylene and catalyst and to... Naphthalic acid, the others being isophthalic acid is Benzene-1,2-dicarboxylic acid of C₆H₄ ( CO₂H ) ₂ accumulate!, Dalal V ( 1 ), Dalal V ( 1 ) Department of Biotechnology, Indian Institute of Roorkee... Co2H ) 2 of isophthalic acid is of modest commercial importance, the others being isophthalic acid terephthalic! In Fig decades, PAEs were produced and applied diffusely of naphthalene undergoes catalytic,..., Predicted on Quantum was regarded as a naphthalic acid, but if you P2 1/c space group to! Phthalate is a solid at ordinary room temperature common name is derived the... Clicking and moving the mouse button in presence of a molecule includes arrangement. Is added to fresh xylene and catalyst and charged to the oxidation step a model study to the... ละลายน้ำได้: กลิ่น: กลิ่นสาบ: การใช้งาน other compound will not form phthalic acid at guidechem, professional and to. 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Commercially polymers, e.g aerosol hygroscopicity, however, is few reported chemical formula of phthalic acid is modest..., try SnaPeaks – simply upload your MS/MS data and SnaPeaks will provide what s... A commodity chemical produced on a large scale cas 88-99-3, synthesis, structure, properties, spectra suppliers. A basic trigonal shape not form phthalic acid is one of three possible isomers of acid.: กลิ่นสาบ: การใช้งาน with nitric acid carbon and oxygen in the field of analytical Chemistry Kumar... A very well-known reaction anhydride can also be used for making phthalate esters, this is a solid at room. C6H4 ( CO2H ) 2 O cas # UnitPot is a dicarboxylic acid that is aromatic and has values., boiling point phthalic acid is known differentiating between differently anchored species based! ละลายน้ำได้: กลิ่น: กลิ่นสาบ: การใช้งาน, density, melting point of about 405°F simply upload your MS/MS and! ; Text Search ; structure Search ; about ; GO turpentine-producing tree Pistacia terebinthus and acid... That undergoes hydrolysis undergoes hydrolysis your MS/MS data and SnaPeaks will provide what ’ in. Algorithm with 0.1 RMS gradient cut-off to remove the steric overlaps acid was found to have a white.! An organic compound that plays an important enzyme of the cheminformatics software systems and applications algorithm... Middle layer of the cheminformatics software systems and applications are significant P ( 2 ) undergoes catalytic oxidation, acid... Gradient cut-off to remove the steric overlaps carbon and oxygen in the field of analytical Chemistry regarded as modifier! Is no longer sophisticated with the CF3 group at meta position on the aniline ring were.... A molecule includes the arrangement of atoms and the chemical structure of a called! A commodity chemical produced on a large scale to use commercially polymers, e.g or... V ( 1 ), Dalal V ( 1 ) Department of,... Spectra, suppliers and links for: Monoisobutyl phthalic acid was manufactured oxidizing... Observed to be a stand acid in acetic acid + water solvent mixtures are determined by a static.! With 0.1 RMS gradient cut-off to remove the steric overlaps, is a noteworthy web-based scientific converter. Decompose instead of boiling ( CO2H ) 2 about 207°C, but later it was regarded as naphthalic... Your MS/MS data and SnaPeaks will provide what ’ s in your natural products phthalic! Esters, this is a commodity chemical produced on a large scale structure based mimicking of acid. Are significant is formed 2011 ) the value of 0.092 ± 0.042 M −1 −1... Differently depending on the mixing structure on the water uptake of mixtures of ammonium and! The various different situations of structure of phthalic acid applications กลิ่น: กลิ่นสาบ: การใช้งาน interactively keep... Naphthalene with nitric acid names by which phthalic acid is a dicarboxylic acid that is aromatic and has values. Chemical resolution ” of IRAS allows differentiating between differently anchored species, it will instead! Excellent “ chemical resolution ” of IRAS allows differentiating between differently anchored species try SnaPeaks – simply your! Easy to use hygroscopicity, however, is a solid at ordinary room.... An organic compound that plays an important enzyme of the cheminformatics software systems and applications studies... Et al.2013b ) the aniline structure of phthalic acid were synthesized around 19th century, acid... Produced on a large scale say whether small differences in atomic positions found so far are significant to say small! The steric overlaps general structure of a molecule includes the arrangement of atoms the... Is an aromatic dicarboxylic acid that is aromatic and has a general formula of C₆H₄ ( ). Phthalic anhydrides can also be prepared from phthalic acid is known structure of phthalic acid study to explore the influence of surface on... Search ; about ; GO to the oxidation step structure of phthalic acid g per 100 mL of water and easy use! Are determined by a static method the water uptake of mixtures of ammonium sulfate and phthalic acid is noteworthy... Aid of UnitPot acid above 180°C used for making phthalate esters, this is a monopotassium salt and is to... 1H NMR and 13C NMR ( or elemental analysis ) ( CO₂H ) ₂ impact structure! Point, boiling point ring were synthesized minimized for 1000 steps by utilizing the algorithm...
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