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CAS 127510-94-5

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Benzoic acid, 2-cyano-5-methyl-, methyl ester

Description:
Benzoic acid, 2-cyano-5-methyl-, methyl ester, with the CAS number 127510-94-5, is an organic compound characterized by its ester functional group, which is derived from benzoic acid. This compound features a cyano group (-CN) and a methyl group (-CH3) attached to the benzene ring, influencing its chemical reactivity and physical properties. It is typically a colorless to pale yellow liquid or solid, depending on the specific conditions. The presence of the cyano group contributes to its polarity, making it soluble in polar solvents. Benzoic acid derivatives often exhibit antimicrobial properties, and this compound may have applications in pharmaceuticals or as an intermediate in organic synthesis. Its stability under standard conditions allows for various reactions, including nucleophilic substitutions and esterifications. Safety data should be consulted for handling, as with many organic compounds, it may pose health risks if ingested or inhaled. Overall, this compound is of interest in both industrial and research settings due to its unique structural features and potential applications.
Formula:C10H9NO2
InChI:InChI=1S/C10H9NO2/c1-7-3-4-8(6-11)9(5-7)10(12)13-2/h3-5H,1-2H3
InChI key:InChIKey=FLTPXVBMNRMBQN-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=C(C#N)C=CC(C)=C1
Synonyms:
  • 2-Cyano-5-methyl-benzoic acid methyl ester
  • Methyl 2-cyano-5-methylbenzoate
  • Benzoic acid, 2-cyano-5-methyl-, methyl ester
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