CAS 86569-82-6

Benzoic acid, 2,3,6-trichloro-, ethyl ester

Description:

Benzoic acid, 2,3,6-trichloro-, ethyl ester, identified by the CAS number 86569-82-6, is an organic compound characterized by its ester functional group derived from benzoic acid and ethyl alcohol. This compound features three chlorine substituents at the 2, 3, and 6 positions of the benzene ring, which significantly influence its chemical properties, including increased reactivity and potential biological activity. It is typically a colorless to pale yellow liquid with a distinctive odor. The presence of chlorine atoms enhances its lipophilicity, which can affect its solubility in various organic solvents. This compound is often used in chemical synthesis and may have applications in agrochemicals or as an intermediate in the production of other chemical substances. Safety data indicates that it should be handled with care, as it may pose risks such as skin irritation or environmental hazards. Proper storage and disposal methods are essential to mitigate any potential risks associated with its use.

Formula: C₉H₇Cl₃O₂

InChI: InChI=1S/C9H7Cl3O2/c1-2-14-9(13)7-5(10)3-4-6(11)8(7)12/h3-4H,2H2,1H3

InChI key: InChIKey=KCVWMCWDKMJQRR-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C1=C(Cl)C(Cl)=CC=C1Cl

Synonyms:

• Benzoic acid, 2,3,6-trichloro-, ethyl ester
• Ethyl 2,3,6-trichlorobenzoate