CAS 845790-56-9

Ethyl 4-chloro-3-fluoro-α-oxobenzeneacetate

Description:

Ethyl 4-chloro-3-fluoro-α-oxobenzeneacetate, identified by its CAS number 845790-56-9, is an organic compound characterized by its ester functional group and the presence of halogen substituents on the aromatic ring. This compound typically exhibits a moderate to high level of lipophilicity due to the presence of the ethyl ester and the aromatic structure, which can influence its solubility in organic solvents. The chloro and fluoro substituents contribute to its reactivity and may affect its electronic properties, potentially making it useful in various chemical reactions, including nucleophilic substitutions. The α-oxobenzeneacetate moiety suggests that it may participate in reactions typical of α-keto esters, such as condensation reactions. Additionally, the compound may exhibit biological activity, making it of interest in pharmaceutical research. Its stability and reactivity can be influenced by environmental factors, and it should be handled with care in laboratory settings due to potential hazards associated with halogenated compounds.

Formula: C₁₀H₈ClFO₃

InChI: InChI=1S/C10H8ClFO3/c1-2-15-10(14)9(13)6-3-4-7(11)8(12)5-6/h3-5H,2H2,1H3

InChI key: InChIKey=WOSOIZKCUZXMBV-UHFFFAOYSA-N

SMILES: C(C(OCC)=O)(=O)C1=CC(F)=C(Cl)C=C1

Synonyms:

• 2-(4-Chloro-3-fluorophenyl)-2-(oxo)acetic acid ethyl ester
• Benzeneacetic acid, 4-chloro-3-fluoro-alpha-oxo-, ethyl ester
• Benzeneacetic acid, 4-chloro-3-fluoro-α-oxo-, ethyl ester
• Ethyl 4-chloro-3-fluoro-α-oxobenzeneacetate
• Ethyl (4-chloro-3-fluorophenyl)(oxo)acetate