2-(CYANOMETHYL)BENZOIC ACID
- CAS NO.：6627-91-4
- Empirical Formula: C9H7NO2
- Molecular Weight: 161.16
- MDL number: MFCD00020293
- EINECS: 229-602-3
- SAFETY DATA SHEET (SDS)
- Update Date: 2022-12-30 16:20:48
What is 2-(CYANOMETHYL)BENZOIC ACID?
The Uses of 2-(CYANOMETHYL)BENZOIC ACID
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.]
Properties of 2-(CYANOMETHYL)BENZOIC ACID
| 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 information for 2-(CYANOMETHYL)BENZOIC ACID
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 2-(CYANOMETHYL)BENZOIC ACID
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