CAS 335013-04-2

Ethyl 4-chloro-3-methylbenzoate

Description:

Ethyl 4-chloro-3-methylbenzoate is an organic compound classified as an ester, specifically a benzoate derivative. It features a benzoic acid structure where a chlorine atom is substituted at the para position and a methyl group at the meta position relative to the ester functional group. This compound is typically a colorless to pale yellow liquid with a characteristic aromatic odor. It is soluble in organic solvents such as ethanol and ether but has limited solubility in water due to its hydrophobic aromatic structure. Ethyl 4-chloro-3-methylbenzoate is often used in organic synthesis and may serve as an intermediate in the production of pharmaceuticals, agrochemicals, and other fine chemicals. Its chemical properties include reactivity towards nucleophiles, making it useful in various chemical reactions, including acylation and substitution reactions. Safety data should be consulted for handling and storage, as with all chemical substances, to ensure proper precautions are taken due to potential toxicity or environmental impact.

Formula: C₁₀H₁₁ClO₂

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

InChI key: InChIKey=IVTUZGLCHFFWTG-UHFFFAOYSA-N

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

Synonyms:

• Ethyl 4-chloro-3-methylbenzoate
• Benzoic acid, 4-chloro-3-methyl-, ethyl ester