CAS 898765-70-3

1-(4-chloro-3-fluoro-phenyl)-2,2-dimethyl-butan-1-one

Description:

1-(4-chloro-3-fluoro-phenyl)-2,2-dimethyl-butan-1-one, identified by its CAS number 898765-70-3, is an organic compound characterized by its unique molecular structure, which includes a phenyl ring substituted with both chlorine and fluorine atoms, as well as a ketone functional group. The presence of the 4-chloro and 3-fluoro substituents on the phenyl ring contributes to its chemical reactivity and potential applications in various fields, including pharmaceuticals and agrochemicals. The compound features a branched alkyl chain, specifically a 2,2-dimethylbutan-1-one moiety, which influences its physical properties such as boiling point, solubility, and stability. Typically, compounds of this nature may exhibit moderate to high lipophilicity, affecting their behavior in biological systems. Additionally, the presence of halogens can enhance the compound's reactivity, making it a candidate for further chemical transformations. Safety and handling precautions should be observed due to potential toxicity associated with halogenated compounds.

Formula: C₁₂H₁₄ClFO

InChI: InChI=1/C12H14ClFO/c1-4-12(2,3)11(15)8-5-6-9(13)10(14)7-8/h5-7H,4H2,1-3H3

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