CAS 898777-89-4

Ethyl 2,3-dichloro-ε-oxobenzenehexanoate

Description:

Ethyl 2,3-dichloro-ε-oxobenzenehexanoate, with the CAS number 898777-89-4, is a chemical compound that belongs to the class of esters. It features a benzene ring substituted with two chlorine atoms at the 2 and 3 positions, contributing to its reactivity and potential biological activity. The presence of the ethyl ester group indicates that it can participate in various chemical reactions, including hydrolysis and transesterification. The hexanoate chain provides a hydrophobic character, which can influence its solubility and interaction with biological membranes. This compound may exhibit interesting properties due to the combination of its aromatic and aliphatic components, potentially making it useful in organic synthesis or as an intermediate in the production of pharmaceuticals or agrochemicals. However, specific data regarding its physical properties, such as boiling point, melting point, and solubility, would require further investigation or experimental determination. As with many chlorinated compounds, it is essential to handle it with care due to potential toxicity and environmental concerns.

Formula: C₁₄H₁₆Cl₂O₃

InChI: InChI=1S/C14H16Cl2O3/c1-2-19-13(18)9-4-3-8-12(17)10-6-5-7-11(15)14(10)16/h5-7H,2-4,8-9H2,1H3

InChI key: InChIKey=HPMZXRZAFFQFJY-UHFFFAOYSA-N

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

Synonyms:

• Benzenehexanoic acid, 2,3-dichloro-ε-oxo-, ethyl ester
• Ethyl 2,3-dichloro-ε-oxobenzenehexanoate