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CAS 327056-72-4

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Benzoic acid, 3-chloro-5-cyano-, methyl ester

Description:
Benzoic acid, 3-chloro-5-cyano-, methyl ester, identified by the CAS number 327056-72-4, is an organic compound characterized by its functional groups, which include a benzoic acid moiety, a chloro substituent, and a cyano group, along with a methyl ester. This compound typically appears as a crystalline solid and is soluble in organic solvents. Its structure suggests it may exhibit both acidic and basic properties due to the presence of the carboxylic acid derivative and the cyano group, which can influence its reactivity and interactions with other molecules. The chloro substituent can enhance the compound's electrophilicity, making it potentially useful in various chemical reactions, including nucleophilic substitutions. Additionally, the presence of the cyano group may impart unique electronic properties, affecting its behavior in biological systems or as a synthetic intermediate. Overall, this compound's characteristics make it of interest in fields such as organic synthesis, pharmaceuticals, and materials science.
Formula:C9H6ClNO2
InChI:InChI=1S/C9H6ClNO2/c1-13-9(12)7-2-6(5-11)3-8(10)4-7/h2-4H,1H3
InChI key:InChIKey=JCOFSHLLQXPNDX-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=CC(C#N)=CC(Cl)=C1
Synonyms:
  • Benzoic acid, 3-chloro-5-cyano-, methyl ester
  • Methyl 3-chloro-5-cyanobenzoate
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