CAS 898765-40-7

1-(3-Chlorophenyl)-2,2-dimethyl-1-butanone

Description:

1-(3-Chlorophenyl)-2,2-dimethyl-1-butanone, identified by its CAS number 898765-40-7, is an organic compound characterized by its ketone functional group and a substituted aromatic ring. This compound features a 3-chlorophenyl group, which contributes to its chemical reactivity and potential applications in various fields, including pharmaceuticals and agrochemicals. The presence of the dimethyl group enhances its steric bulk, influencing its physical properties such as boiling point and solubility. Typically, compounds of this nature exhibit moderate to low solubility in water but may be soluble in organic solvents. The chlorophenyl moiety can also impart specific biological activities, making it of interest in medicinal chemistry. Additionally, the compound's structure suggests potential for further derivatization, allowing for the exploration of its reactivity and interactions with other chemical entities. Safety and handling precautions should be observed, as with many organic compounds, due to potential toxicity or environmental impact.

Formula: C₁₂H₁₅ClO

InChI: InChI=1S/C12H15ClO/c1-4-12(2,3)11(14)9-6-5-7-10(13)8-9/h5-8H,4H2,1-3H3

InChI key: InChIKey=PISXPNAHSIOGMS-UHFFFAOYSA-N

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

Synonyms:

• 1-Butanone, 1-(3-chlorophenyl)-2,2-dimethyl-
• 1-(3-Chlorophenyl)-2,2-dimethyl-1-butanone