CAS 898765-51-0

3,5-Dichloro-ε-oxobenzenehexanoic acid

Description:

3,5-Dichloro-ε-oxobenzenehexanoic acid is a synthetic organic compound characterized by its unique structure, which includes a benzene ring substituted with two chlorine atoms at the 3 and 5 positions, along with a hexanoic acid chain that features a keto group (oxobenzene) at the epsilon position. This compound typically exhibits properties associated with both aromatic and aliphatic functionalities, contributing to its potential reactivity and solubility characteristics. The presence of chlorine substituents can enhance its lipophilicity and influence its biological activity, making it of interest in various fields, including pharmaceuticals and agrochemicals. The carboxylic acid functional group imparts acidic properties, allowing for potential interactions in biological systems. Additionally, the compound's molecular structure suggests it may participate in hydrogen bonding and other intermolecular interactions, which can affect its stability and reactivity. Overall, 3,5-Dichloro-ε-oxobenzenehexanoic acid represents a versatile chemical entity with potential applications in research and industry.

Formula: C₁₂H₁₂Cl₂O₃

InChI: InChI=1S/C12H12Cl2O3/c13-9-5-8(6-10(14)7-9)11(15)3-1-2-4-12(16)17/h5-7H,1-4H2,(H,16,17)

InChI key: InChIKey=JFHBKVOETFDMJK-UHFFFAOYSA-N

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

Synonyms:

• 3,5-Dichloro-ε-oxobenzenehexanoic acid
• Benzenehexanoic acid, 3,5-dichloro-ε-oxo-