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HomeProduct name list2-(CYANOMETHYL)BENZOIC ACID

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
2-(CYANOMETHYL)BENZOIC ACID Structural

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)
ghs
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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