Homophthalic acid

Homophthalic acid Basic information
Product Name:Homophthalic acid
Synonyms:TOLUENE-2,ALPHA-DICARBOXYLIC ACID;2-carboxy-benzeneaceticaci;alpha-carboxy-o-toluicaci;Homophthalic acid,α-Carboxy-o-toluic acid, 2-Carboxyphenylacetic acid;Homophthalic diacid (anhydride);O-carboxylic acid;Benzeneacetic acid, 2-carboxy-;o-Carboxybenzeneacetic acid
CAS:89-51-0
MF:C9H8O4
MW:180.16
EINECS:201-913-9
Product Categories:Building Blocks;C9;Carbonyl Compounds;Carboxylic Acids;Chemical Synthesis;Organic Building Blocks;Aromatic Phenylacetic Acids and Derivatives
Mol File:89-51-0.mol
Homophthalic acid Structure
Homophthalic acid Chemical Properties
Melting point 178-182 °C (lit.)
Boiling point 389.5±17.0 °C(Predicted)
density 1.392±0.06 g/cm3(Predicted)
storage temp. Sealed in dry,Room Temperature
solubility soluble in Dimethylformamide
pka3.72±0.36(Predicted)
form Powder
color Off-white to light yellow or pale green
Water Solubility 12 g/L (20 ºC)
BRN 1872069
InChIKeyZHQLTKAVLJKSKR-UHFFFAOYSA-N
CAS DataBase Reference89-51-0(CAS DataBase Reference)
EPA Substance Registry SystemBenzeneacetic acid, 2-carboxy- (89-51-0)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 22-24/25-37/39-26-36/37/39-27
WGK Germany 3
RTECS CY1575590
TSCA Yes
HS Code 29173990
MSDS Information
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Homophthalic acid English
SigmaAldrich English
ACROS English
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Homophthalic acid Usage And Synthesis
Chemical Propertiesoff-white to light yellow or pale green powder
Usesantidepressant
UsesA remainder phthalic acid.
Synthesis Reference(s)The Journal of Organic Chemistry, 58, p. 4745, 1993 DOI: 10.1021/jo00069a047
Purification MethodsCrystallise the acid from boiling H2O (25mL/g; 63mL/g at 20o), aqueous AcOH (m 180o) Dry it at 100o. The S-benzylisothiuronium salt has m 155-156o (from EtOH). [Price Org Synth 22 611942, Grummitt et al. Org Synth Coll Vol III 449 1955, Beilstein 9 H 857, 9 II 617, 9 III 4266, 9 IV 3343.] The anhydride [703-59-3] M 162.1 has m 141-142o. [Beilstein 17/11 V 270.]
5-HYDROXY-HOMOPHTHALIC ACID HOMOPHTHALIC ACID pure Ethyl 2-(Chlorosulfonyl)acetate Phenethyl phenylacetate Ascoric Acid Homophthalic acid 2-Hydroxyphenylacetic acid 4-Methoxyphenylacetic acid 3-HYDROXYHOMOPHTHALIC ACID 2-Methylphenylacetic acid 5-CHLORO-HOMOPHTHALIC ACID 4-Hydroxyphenylacetic acid 2-(AMINO-CARBOXY-METHYL)-BENZOIC ACID 5-Carboxyphthalide 5-BROMO-HOMOPHTHALIC ACID DIALLYL HOMOPHTHALATE phosphoric acid HOMOPHTHALIC ACID, (O-CARBOXYPHENYLACETIC ACID)

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