CAS 1256479-64-7

Ethyl 3-chloro-5-methylbenzoate

Description:

Ethyl 3-chloro-5-methylbenzoate is an organic compound characterized by its ester functional group, which is derived from benzoic acid. It features a chloro substituent at the 3-position and a methyl group at the 5-position of the aromatic ring, contributing to its unique chemical properties. This compound typically appears as a colorless to pale yellow liquid with a pleasant odor. It is moderately soluble in organic solvents and exhibits low solubility in water due to its hydrophobic aromatic structure. Ethyl 3-chloro-5-methylbenzoate can participate in various chemical reactions, including nucleophilic substitutions and esterification, making it useful in synthetic organic chemistry. Its chlorinated structure may also impart specific reactivity patterns, such as increased electrophilicity. Safety data should be consulted for handling, as it may pose health risks if inhaled or ingested. Overall, this compound serves as a valuable intermediate in the synthesis of pharmaceuticals, agrochemicals, and other organic materials.

Formula: C₁₀H₁₁ClO₂

InChI: InChI=1S/C10H11ClO2/c1-3-13-10(12)8-4-7(2)5-9(11)6-8/h4-6H,3H2,1-2H3

InChI key: InChIKey=QYASVPRMVDGWHU-UHFFFAOYSA-N

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

Synonyms:

• Benzoic acid, 3-chloro-5-methyl-, ethyl ester
• Ethyl 3-chloro-5-methylbenzoate