CAS 898780-94-4

1-Propanone, 1-(3-chloro-5-fluorophenyl)-3-(3,5-dimethylphenyl)-

Description:

1-Propanone, 1-(3-chloro-5-fluorophenyl)-3-(3,5-dimethylphenyl)-, also known by its CAS number 898780-94-4, is an organic compound characterized by its ketone functional group. This substance features a propanone backbone with two distinct aromatic substituents: a 3-chloro-5-fluorophenyl group and a 3,5-dimethylphenyl group. The presence of halogen atoms, such as chlorine and fluorine, in the aromatic rings can influence the compound's reactivity and physical properties, including its boiling point and solubility. Generally, compounds with such substituents may exhibit interesting biological activities, making them of interest in pharmaceutical research. The molecular structure suggests potential for various interactions due to the electron-withdrawing effects of the halogens and the steric effects of the dimethyl groups. As with many organic compounds, safety data should be consulted for handling and usage, as well as potential environmental impacts.

Formula: C₁₇H₁₆ClFO

InChI: InChI=1S/C17H16ClFO/c1-11-5-12(2)7-13(6-11)3-4-17(20)14-8-15(18)10-16(19)9-14/h5-10H,3-4H2,1-2H3

InChI key: InChIKey=DZRRNIHKJORHGF-UHFFFAOYSA-N

SMILES: C(CCC1=CC(C)=CC(C)=C1)(=O)C2=CC(Cl)=CC(F)=C2

Synonyms:

• 1-(3-Chloro-5-fluorophenyl)-3-(3,5-dimethylphenyl)-1-propanone
• 1-Propanone, 1-(3-chloro-5-fluorophenyl)-3-(3,5-dimethylphenyl)-
• 3′-Chloro-3-(3,5-dimethylphenyl)-5′-fluoropropiophenone