CAS 1260761-04-3

Ethyl 2-chloro-6-cyanobenzoate

Description:

Ethyl 2-chloro-6-cyanobenzoate is an organic compound characterized by its aromatic structure, which includes a benzoate moiety substituted with both a chlorine atom and a cyano group. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its purity and temperature. It is soluble in organic solvents such as ethanol and dichloromethane, but has limited solubility in water due to its hydrophobic aromatic structure. Ethyl 2-chloro-6-cyanobenzoate is often used in organic synthesis, particularly in the preparation of various pharmaceuticals and agrochemicals, owing to its reactive functional groups. The presence of the cyano group contributes to its potential as a nucleophile in various chemical reactions, while the chloro substituent can facilitate further substitution reactions. Safety precautions should be taken when handling this compound, as it may pose health risks if inhaled or ingested, and appropriate protective equipment should be used to minimize exposure.

Formula: C₁₀H₈ClNO₂

InChI: InChI=1S/C10H8ClNO2/c1-2-14-10(13)9-7(6-12)4-3-5-8(9)11/h3-5H,2H2,1H3

InChI key: InChIKey=QOMVNTMRFAPCKB-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C1=C(C#N)C=CC=C1Cl

Synonyms:

• Benzoic acid, 2-chloro-6-cyano-, ethyl ester
• Ethyl 2-chloro-6-cyanobenzoate