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CAS 3843-99-0

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3-Cyano-2-methylbenzoic acid

Description:
3-Cyano-2-methylbenzoic acid is an aromatic compound characterized by the presence of both a cyano group (-CN) and a carboxylic acid group (-COOH) attached to a methyl-substituted benzene ring. This compound features a methyl group at the 2-position and a cyano group at the 3-position relative to the carboxylic acid. It typically appears as a solid at room temperature and is soluble in polar organic solvents. The presence of the cyano group contributes to its reactivity, making it useful in various chemical syntheses, including the formation of heterocycles and other derivatives. The carboxylic acid functionality allows for potential hydrogen bonding, influencing its solubility and reactivity. Additionally, 3-cyano-2-methylbenzoic acid can participate in various chemical reactions, such as nucleophilic substitutions and condensation reactions, making it valuable in organic synthesis and materials science. Its unique structure and functional groups provide a platform for further modifications and applications in pharmaceuticals and agrochemicals.
Formula:C9H7NO2
InChI:InChI=1S/C9H7NO2/c1-6-7(5-10)3-2-4-8(6)9(11)12/h2-4H,1H3,(H,11,12)
InChI key:InChIKey=QPEFUCOMFYTEKE-UHFFFAOYSA-N
SMILES:C(O)(=O)C1=C(C)C(C#N)=CC=C1
Synonyms:
  • 2-Methyl-3-cyanobenzoic acid
  • o-Toluic acid, 3-cyano-
  • Benzoic acid, 3-cyano-2-methyl-
  • 3-Cyano-2-methylbenzoic acid
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