CAS 898764-64-2

1-(4-chloro-3-fluoro-phenyl)-3,3-dimethyl-butan-1-one

Description:

1-(4-chloro-3-fluoro-phenyl)-3,3-dimethyl-butan-1-one, with the CAS number 898764-64-2, is an organic compound characterized by its unique structure that includes a phenyl ring substituted with both chlorine and fluorine atoms, as well as a ketone functional group. This compound features a butanone backbone with two methyl groups attached to the carbon adjacent to the carbonyl, contributing to its steric bulk. 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 interesting biological activities and can be of interest in pharmaceutical research. The molecular structure suggests potential applications in various fields, including medicinal chemistry and materials science. Additionally, the compound's physical properties, such as solubility and melting point, would be influenced by its functional groups and overall molecular geometry. As with any chemical substance, safety data and handling precautions should be considered when working with this compound.

Formula: C₁₂H₁₄ClFO

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

SMILES: CC(C)(C)CC(=O)c1ccc(c(c1)F)Cl