Homophthalic acid CAS NO.89-51-0

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                          
Mol File:    89-51-0.mol                          

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
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)
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
Provider    Language
Homophthalic acid    English
SigmaAldrich    English
ACROS    English
ALFA    English
Homophthalic acid Usage And Synthesis
Chemical Properties    off-white to light yellow or pale green powder
Uses    antidepressant
Uses    A remainder phthalic acid.
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
Raw materials    Indene-->cis-1,2,3,4-tetrahydronaphthalene-2,3-diol-->1,2-Phenylenediacetic acid
Preparation Products    1,3-Dichloroisoquinoline-->2-(CYANOMETHYL)BENZOIC ACID-->1,2,3,4-Tetrahydroisoquinoline-1,3-dione-->5-BROMO-HOMOPHTHALIC ACID