CAS 951889-50-2

2-Chloro-4-fluoro-η-oxobenzeneoctanoic acid

Description:

2-Chloro-4-fluoro-η-oxobenzeneoctanoic acid, with the CAS number 951889-50-2, is a chemical compound that features a complex structure characterized by the presence of both chlorine and fluorine substituents on a benzene ring, along with a carboxylic acid functional group. The "η-oxo" designation suggests the presence of a ketone or similar functional group, indicating that the compound may exhibit unique reactivity and properties. This compound is likely to be a solid at room temperature, with potential applications in pharmaceuticals or agrochemicals due to its halogenated structure, which can enhance biological activity or alter solubility. The presence of both chlorine and fluorine can influence the compound's lipophilicity and stability, making it of interest in various chemical syntheses and formulations. Additionally, the octanoic acid moiety may impart specific characteristics related to fatty acid behavior, such as potential antimicrobial properties. Overall, this compound's unique functional groups and structure suggest a range of potential applications in chemical research and industry.

Formula: C₁₄H₁₆ClFO₃

InChI: InChI=1S/C14H16ClFO3/c15-12-9-10(16)7-8-11(12)13(17)5-3-1-2-4-6-14(18)19/h7-9H,1-6H2,(H,18,19)

InChI key: InChIKey=LRQSSEIFGIWXTB-UHFFFAOYSA-N

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

Synonyms:

• Benzeneoctanoic acid, 2-chloro-4-fluoro-η-oxo-
• 2-Chloro-4-fluoro-η-oxobenzeneoctanoic acid