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6627-91-4

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6627-91-4 Structure

6627-91-4 Structure
IdentificationMore
[Name]

2-(CYANOMETHYL)BENZOIC ACID
[CAS]

6627-91-4
[Synonyms]

Brn 0472769
Einecs 229-602-3
2-(cyanomethyl)benzoate
alpha-cyano-o-toluicacid
2-(cyanomethyl)-benzoicaci
o-carboxyphenylacetonitrile
2-(CYANOMETHYL)BENZOIC ACID
2-CARBOXYPHENYLACETONITRILE
o-Toluic acid, alpha-cyano-
2-(Cyanomethyl)benzoicacid97%
Benzoic acid, 2-(cyanomethyl)-
2-(CYANOMETHYL)BENZOIC ACID USP/EP/BP
[EINECS(EC#)]

229-602-3
[Molecular Formula]

C9H7NO2
[MDL Number]

MFCD00020293
[Molecular Weight]

161.16
[MOL File]

6627-91-4.mol
Questions And AnswerBack Directory
[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.    

Chemical PropertiesBack Directory
[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 DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[HS Code ]

2916399090
Hazard InformationBack Directory
[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.]
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