CAS 86569-79-1

Benzoic acid, 2,3,5-trichloro-, methyl ester

Description:

Benzoic acid, 2,3,5-trichloro-, methyl ester, identified by the CAS number 86569-79-1, is an organic compound characterized by its ester functional group derived from benzoic acid and methyl alcohol. This compound features a benzene ring substituted with three chlorine atoms at the 2, 3, and 5 positions, which significantly influences its chemical properties, including increased reactivity and potential biological activity. The presence of chlorine atoms enhances its lipophilicity, making it more soluble in organic solvents compared to its non-chlorinated counterparts. This compound is typically used in various applications, including as an intermediate in organic synthesis and potentially in agrochemical formulations. Its chemical structure contributes to its stability under normal conditions, although it may undergo hydrolysis in the presence of strong acids or bases. Safety data should be consulted, as chlorinated compounds can exhibit toxicity and environmental persistence. Proper handling and disposal practices are essential to mitigate any potential risks associated with exposure.

Formula: C₈H₅Cl₃O₂

InChI: InChI=1S/C8H5Cl3O2/c1-13-8(12)5-2-4(9)3-6(10)7(5)11/h2-3H,1H3

InChI key: InChIKey=VNUXCZBWVKRBHB-UHFFFAOYSA-N

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

Synonyms:

• Benzoic acid, 2,3,5-trichloro-, methyl ester
• Methyl 2,3,5-trichlorobenzoate