CAS 755031-82-4

Benzoic acid, 2-(acetylamino)-4-chloro-5-methyl-, methyl ester

Description:

Benzoic acid, 2-(acetylamino)-4-chloro-5-methyl-, methyl ester, identified by the CAS number 755031-82-4, is an organic compound characterized by its ester functional group, which is derived from benzoic acid. This compound features a benzoic acid core with several substituents: an acetylamino group, a chloro group, and a methyl group, contributing to its unique chemical properties. It is typically a white to off-white solid and is soluble in organic solvents, reflecting its hydrophobic characteristics. The presence of the chloro substituent can influence its reactivity, making it potentially useful in various chemical reactions, including nucleophilic substitutions. The acetylamino group may enhance its biological activity, suggesting potential applications in pharmaceuticals or agrochemicals. As with many organic compounds, safety data should be consulted, as it may pose hazards such as irritation or toxicity. Overall, this compound exemplifies the complexity and versatility of substituted benzoic acids in organic chemistry.

Formula: C₁₁H₁₂ClNO₃

InChI: InChI=1S/C11H12ClNO3/c1-6-4-8(11(15)16-3)10(5-9(6)12)13-7(2)14/h4-5H,1-3H3,(H,13,14)

InChI key: InChIKey=QMJDAQNHJVXKBU-UHFFFAOYSA-N

SMILES: N(C(C)=O)C1=C(C(OC)=O)C=C(C)C(Cl)=C1

Synonyms:

• Benzoic acid, 2-(acetylamino)-4-chloro-5-methyl-, methyl ester
• Methyl 2-(acetylamino)-4-chloro-5-methylbenzoate