CAS 951889-38-6

2-Chloro-4-fluoro-γ-oxobenzenebutanoic acid

Description:

2-Chloro-4-fluoro-γ-oxobenzenebutanoic acid, identified by its CAS number 951889-38-6, is a chemical compound that features a benzene ring substituted with both chlorine and fluorine atoms, as well as a carboxylic acid functional group. This compound is characterized by its unique structural arrangement, which includes a γ-oxobutanoic acid moiety, indicating the presence of a ketone functional group adjacent to the carboxylic acid. The presence of halogen substituents, specifically chlorine and fluorine, can significantly influence the compound's reactivity, polarity, and overall chemical behavior. Typically, such compounds may exhibit biological activity, making them of interest in pharmaceutical research. Additionally, the presence of the carboxylic acid group suggests potential for hydrogen bonding and solubility in polar solvents. The compound's synthesis and applications may be explored in various fields, including medicinal chemistry and agrochemicals, where the modification of aromatic systems is often crucial for developing new therapeutic agents or pesticides.

Formula: C₁₀H₈ClFO₃

InChI: InChI=1S/C10H8ClFO3/c11-8-5-6(12)1-2-7(8)9(13)3-4-10(14)15/h1-2,5H,3-4H2,(H,14,15)

InChI key: InChIKey=SIKYNSJUNIDDQM-UHFFFAOYSA-N

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

Synonyms:

• 2-Chloro-4-fluoro-γ-oxobenzenebutanoic acid
• Benzenebutanoic acid, 2-chloro-4-fluoro-γ-oxo-