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CAS 500024-27-1

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Benzoic acid, 2-cyano-3-methyl-, methyl ester

Description:
Benzoic acid, 2-cyano-3-methyl-, methyl ester, identified by the CAS number 500024-27-1, is an organic compound that belongs to the class of benzoic acid derivatives. This substance features a benzoic acid core with a cyano group and a methyl group at the 2 and 3 positions, respectively, and is esterified with methanol. It typically appears as a colorless to pale yellow liquid or solid, depending on its purity and temperature. The presence of the cyano group imparts notable reactivity, making it useful in various chemical syntheses and applications. This compound is likely to exhibit moderate solubility in organic solvents and limited solubility in water due to its hydrophobic aromatic structure. Its chemical properties may include acidity, as indicated by the benzoic acid moiety, and potential for nucleophilic reactions due to the cyano group. Safety data should be consulted for handling and storage, as with all chemical substances, to ensure proper precautions are taken.
Formula:C10H9NO2
InChI:InChI=1S/C10H9NO2/c1-7-4-3-5-8(9(7)6-11)10(12)13-2/h3-5H,1-2H3
InChI key:InChIKey=OINKWIOPYXLZJJ-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=C(C#N)C(C)=CC=C1
Synonyms:
  • 2-Cyano-3-methyl-benzoic acid methyl ester
  • Methyl 2-cyano-3-methylbenzoate
  • Benzoic acid, 2-cyano-3-methyl-, methyl ester
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