2-(CYANOMETHYL)BENZOIC ACID

2-(CYANOMETHYL)BENZOIC ACID Structure
CAS No.
6627-91-4
Chemical Name:
2-(CYANOMETHYL)BENZOIC ACID
Synonyms
Brn 0472769;Einecs 229-602-3;2-(cyanomethyl)benzoate;alpha-cyano-o-toluicacid;2-(cyanomethyl)-benzoicaci;2-CARBOXYPHENYLACETONITRILE;2-(CYANOMETHYL)BENZOIC ACID;o-carboxyphenylacetonitrile;o-Toluic acid, alpha-cyano-;2-(Cyanomethyl)benzoicacid97%
CBNumber:
CB8331913
Molecular Formula:
C9H7NO2
Molecular Weight:
161.16
MOL File:
6627-91-4.mol
MSDS File:
SDS
Modify Date:
2022/12/30 16:20:48

2-(CYANOMETHYL)BENZOIC ACID Properties

Melting point 126 °C
Boiling point 348.8±17.0 °C(Predicted)
Density 1.257±0.06 g/cm3(Predicted)
storage temp. 2-8°C
pka 3.66±0.36(Predicted)
CAS DataBase Reference 6627-91-4(CAS DataBase Reference)

SAFETY

Risk and Safety Statements

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338
HS Code  2916399090

2-(CYANOMETHYL)BENZOIC ACID Chemical Properties,Uses,Production

Uses

2-(Cyanomethyl)benzoic Acid react with substituted to synthesize 1-Aryl-2H-isoquinolin-3-ones. Also, it is used in the synthesis of 6-(3-Aminophenyl)-3-(phenylamino)isoquinolin-1(2H)-one which is an inhibitor of the dual-specificity phosphatase Cdc25B.

Purification Methods

Crystallise the nitrile (with considerable loss) from *benzene, glacial acetic acid or H2O. The methyl ester has m 47-48o (from *C6H6). [Price & Rogers Org Synth Coll Vol III 174 1955, Beilstein 9 H 859, 9 II 618, 9 III 4267.]

2-(CYANOMETHYL)BENZOIC ACID Suppliers

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2-(cyanomethyl)-benzoicaci alpha-cyano-o-toluicacid o-carboxyphenylacetonitrile 2-(CYANOMETHYL)BENZOIC ACID 2-CARBOXYPHENYLACETONITRILE Benzoic acid, 2-(cyanomethyl)- Brn 0472769 Einecs 229-602-3 o-Toluic acid, alpha-cyano- 2-(Cyanomethyl)benzoicacid97% 2-(cyanomethyl)benzoate 2-(CYANOMETHYL)BENZOIC ACID USP/EP/BP 6627-91-4 Carboxylic Acids Phenyls & Phenyl-Het Carboxylic Acids Phenyls & Phenyl-Het