CAS 898764-82-4

1-(4-Chloro-2-fluorophenyl)-3,3-dimethyl-1-butanone

Description:

1-(4-Chloro-2-fluorophenyl)-3,3-dimethyl-1-butanone, identified by its CAS number 898764-82-4, is an organic compound characterized by its unique molecular structure, which includes a butanone backbone substituted with a 4-chloro-2-fluorophenyl group. This compound typically exhibits properties associated with ketones, such as being a polar solvent and having a relatively high boiling point due to the presence of the carbonyl group. The chlorofluorophenyl substituent contributes to its potential reactivity and biological activity, making it of interest in various fields, including pharmaceuticals and agrochemicals. The presence of halogens (chlorine and fluorine) can enhance lipophilicity and influence the compound's interaction with biological targets. Additionally, this compound may exhibit specific spectral characteristics in techniques such as NMR and IR spectroscopy, aiding in its identification and characterization. Safety data should be consulted for handling and storage, as halogenated compounds can pose environmental and health risks.

Formula: C₁₂H₁₄ClFO

InChI: InChI=1S/C12H14ClFO/c1-12(2,3)7-11(15)9-5-4-8(13)6-10(9)14/h4-6H,7H2,1-3H3

InChI key: InChIKey=HLBWXGPGWNWOKL-UHFFFAOYSA-N

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

Synonyms:

• 1-Butanone, 1-(4-chloro-2-fluorophenyl)-3,3-dimethyl-
• 1-(4-Chloro-2-fluorophenyl)-3,3-dimethyl-1-butanone