CAS 898792-61-5

2-Chloro-ε-oxobenzenehexanoic acid

Description:

2-Chloro-ε-oxobenzenehexanoic acid, identified by its CAS number 898792-61-5, is a chemical compound that features a chloro substituent and a carboxylic acid functional group, contributing to its reactivity and potential applications in organic synthesis. The presence of the chloro group typically enhances the compound's electrophilicity, making it useful in various chemical reactions, including nucleophilic substitutions. The ε-oxobenzene structure indicates that it contains a benzene ring with a ketone functional group, which can influence its physical properties, such as solubility and boiling point. This compound may exhibit biological activity, making it of interest in pharmaceutical research. Its molecular structure suggests that it could participate in various chemical transformations, potentially serving as an intermediate in the synthesis of more complex molecules. As with many organic compounds, safety precautions should be observed when handling it, as it may pose health risks or environmental hazards. Further studies would be necessary to fully elucidate its properties and potential applications in different fields.

Formula: C₁₂H₁₃ClO₃

InChI: InChI=1S/C12H13ClO3/c13-10-6-2-1-5-9(10)11(14)7-3-4-8-12(15)16/h1-2,5-6H,3-4,7-8H2,(H,15,16)

InChI key: InChIKey=YOIOTRBILKEUJT-UHFFFAOYSA-N

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

Synonyms:

• 2-Chloro-ε-oxobenzenehexanoic acid
• Benzenehexanoic acid, 2-chloro-ε-oxo-
• 6-(2-Chlorophenyl)-6-oxohexanoic acid