CAS 898765-57-6

3,5-Dichloro-η-oxobenzeneoctanoic acid

Description:

3,5-Dichloro-η-oxobenzeneoctanoic acid, identified by its CAS number 898765-57-6, is a chemical compound that features a complex structure characterized by the presence of a benzene ring substituted with two chlorine atoms at the 3 and 5 positions, along with an octanoic acid chain. This compound is likely to exhibit properties typical of both aromatic and aliphatic acids, including potential hydrophobic characteristics due to the long carbon chain and polar functional groups from the carboxylic acid. The dichlorination may influence its reactivity, stability, and solubility in various solvents. Such compounds often find applications in pharmaceuticals, agrochemicals, or as intermediates in organic synthesis. The presence of chlorine atoms can also impart unique biological activity or environmental persistence. However, specific data regarding its physical properties, such as melting point, boiling point, and solubility, would require empirical measurement or literature reference for precise characterization.

Formula: C₁₄H₁₆Cl₂O₃

InChI: InChI=1S/C14H16Cl2O3/c15-11-7-10(8-12(16)9-11)13(17)5-3-1-2-4-6-14(18)19/h7-9H,1-6H2,(H,18,19)

InChI key: InChIKey=JSOARVXMDZLJTN-UHFFFAOYSA-N

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

Synonyms:

• 3,5-Dichloro-η-oxobenzeneoctanoic acid
• Benzeneoctanoic acid, 3,5-dichloro-η-oxo-