| Identification | More | [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 Answer | Back 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 Properties | Back 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 | [form ]
solid | [pka]
3.66±0.36(Predicted) | [InChI]
1S/C9H7NO2/c10-6-5-7-3-1-2-4-8(7)9(11)12/h1-4H,5H2,(H,11,12) | [InChIKey]
AGXBHBJDSLZGAP-UHFFFAOYSA-N | [SMILES]
OC(=O)c1ccccc1CC#N | [CAS DataBase Reference]
6627-91-4(CAS DataBase Reference) |
| Hazard Information | Back 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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| Company Name: |
Energy Chemical
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| Tel: |
021-58432009 400-005-6266 |
| Website: |
http://www.energy-chemical.com |
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