CAS 898776-76-6

Ethyl 3,4-dichloro-ε-oxobenzenehexanoate

Description:

Ethyl 3,4-dichloro-ε-oxobenzenehexanoate, identified by its CAS number 898776-76-6, is an organic compound characterized by its ester functional group, which is derived from the reaction of an alcohol (ethyl alcohol) and a carboxylic acid. This compound features a benzene ring substituted with two chlorine atoms at the 3 and 4 positions, contributing to its reactivity and potential biological activity. The presence of the ε-oxobenzene structure indicates a carbonyl group adjacent to the aromatic system, which can influence its chemical behavior and interactions. Ethyl 3,4-dichloro-ε-oxobenzenehexanoate is likely to exhibit moderate solubility in organic solvents and may have limited solubility in water due to its hydrophobic aromatic components. Its chlorinated nature suggests potential applications in various fields, including pharmaceuticals and agrochemicals, although specific applications would depend on further research into its biological properties and reactivity. Safety and handling precautions should be observed, as chlorinated compounds can pose health and environmental risks.

Formula: C₁₄H₁₆Cl₂O₃

InChI: InChI=1S/C14H16Cl2O3/c1-2-19-14(18)6-4-3-5-13(17)10-7-8-11(15)12(16)9-10/h7-9H,2-6H2,1H3

InChI key: InChIKey=FYTFCGZSFPKBTC-UHFFFAOYSA-N

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

Synonyms:

• Ethyl 3,4-dichloro-ε-oxobenzenehexanoate
• Benzenehexanoic acid, 3,4-dichloro-ε-oxo-, ethyl ester