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CAS 6627-91-4

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2-(Cyanomethyl)benzoic acid

Description:
2-(Cyanomethyl)benzoic acid, with the CAS number 6627-91-4, is an organic compound characterized by the presence of both a benzoic acid moiety and a cyanomethyl group. This compound features a carboxylic acid functional group (-COOH) attached to a benzene ring, which is further substituted at the ortho position with a cyanomethyl group (-CH2-CN). The presence of the cyano group imparts notable polarity and potential reactivity, making it useful in various chemical syntheses. The compound is typically a solid at room temperature and may exhibit moderate solubility in polar solvents due to its functional groups. Its properties include being a potential intermediate in organic synthesis, particularly in the preparation of pharmaceuticals and agrochemicals. Additionally, the compound may exhibit acidic behavior due to the carboxylic acid group, which can participate in proton transfer reactions. Safety data should be consulted for handling, as compounds containing cyano groups can be toxic and require appropriate precautions.
Formula:C9H7NO2
InChI:InChI=1S/C9H7NO2/c10-6-5-7-3-1-2-4-8(7)9(11)12/h1-4H,5H2,(H,11,12)
InChI key:InChIKey=AGXBHBJDSLZGAP-UHFFFAOYSA-N
SMILES:C(O)(=O)C1=C(CC#N)C=CC=C1
Synonyms:
  • 2-(Cyanomethyl)Benzoate
  • 4-{[(4-Chlorophenyl)Carbonyl]Carbonohydrazonoyl}Phenyl 3,4-Dimethoxybenzoate
  • Benzoic acid, 2-(cyanomethyl)-
  • Brn 0472769
  • NSC 60255
  • NSC 631630
  • alpha-Cyano-o-toluic acid
  • o-Carboxyphenylacetonitrile
  • o-Toluic acid, alpha-cyano-
  • o-Toluic acid, α-cyano-
  • See more synonyms
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