CAS 898765-96-3

1-(2,5-Dichlorophenyl)-2,2-dimethyl-1-butanone

Description:

1-(2,5-Dichlorophenyl)-2,2-dimethyl-1-butanone, identified by its CAS number 898765-96-3, is an organic compound characterized by its unique structure, which includes a dichlorophenyl group and a ketone functional group. This compound typically exhibits a moderate molecular weight and is likely to be a solid or liquid at room temperature, depending on its specific physical properties. The presence of the dichlorophenyl moiety suggests potential applications in pharmaceuticals or agrochemicals, as chlorinated aromatic compounds often exhibit biological activity. Its ketone functional group may contribute to reactivity in various chemical reactions, such as nucleophilic additions or reductions. Additionally, the presence of bulky dimethyl groups can influence its steric properties and solubility in organic solvents. Safety and handling precautions are essential, as with many organic compounds, due to potential toxicity or environmental impact. Overall, this compound's characteristics make it of interest in both synthetic chemistry and potential industrial applications.

Formula: C₁₂H₁₄Cl₂O

InChI: InChI=1S/C12H14Cl2O/c1-4-12(2,3)11(15)9-7-8(13)5-6-10(9)14/h5-7H,4H2,1-3H3

InChI key: InChIKey=WFJUJFHEUKJXLV-UHFFFAOYSA-N

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

Synonyms:

• 1-(2,5-Dichlorophenyl)-2,2-dimethyl-1-butanone
• 1-Butanone, 1-(2,5-dichlorophenyl)-2,2-dimethyl-