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Homophthalic acid

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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
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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
pka
3.72±0.36(Predicted)
form 
Powder
color 
Off-white to light yellow or pale green
Water Solubility 
12 g/L (20 ºC)
BRN 
1872069
InChIKey
ZHQLTKAVLJKSKR-UHFFFAOYSA-N
CAS DataBase Reference
89-51-0(CAS DataBase Reference)
EPA Substance Registry System
Benzeneacetic acid, 2-carboxy- (89-51-0)
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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

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Homophthalic acid Usage And Synthesis

Chemical Properties

off-white to light yellow or pale green powder

Uses

A remainder phthalic acid.

Uses

antidepressant

Synthesis Reference(s)

The Journal of Organic Chemistry, 58, p. 4745, 1993 DOI: 10.1021/jo00069a047

Purification Methods

Crystallise 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.]

Homophthalic acid Preparation Products And Raw materials

Preparation Products

Raw materials

Homophthalic acidSupplier

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