CAS 898779-73-2

1-Propanone, 1-(4-chloro-2-fluorophenyl)-3-(3,4-dimethylphenyl)-

Description:

1-Propanone, 1-(4-chloro-2-fluorophenyl)-3-(3,4-dimethylphenyl)-, also known by its CAS number 898779-73-2, is an organic compound characterized by its ketone functional group. This substance features a propanone backbone with two distinct aromatic substituents: a 4-chloro-2-fluorophenyl group and a 3,4-dimethylphenyl group. The presence of halogen atoms, specifically chlorine and fluorine, contributes to its unique chemical reactivity and potential applications in various fields, including pharmaceuticals and agrochemicals. The compound is likely to exhibit moderate to high lipophilicity due to the aromatic rings, which can influence its solubility and bioavailability. Additionally, the structural complexity suggests potential for specific interactions with biological targets, making it of interest in medicinal chemistry. Safety and handling precautions should be observed, as with many organic compounds, due to potential toxicity or environmental impact. Overall, this compound exemplifies the diverse chemistry associated with substituted ketones and their derivatives.

Formula: C₁₇H₁₆ClFO

InChI: InChI=1S/C17H16ClFO/c1-11-3-4-13(9-12(11)2)5-8-17(20)15-7-6-14(18)10-16(15)19/h3-4,6-7,9-10H,5,8H2,1-2H3

InChI key: InChIKey=OKXUYAHXIKJNHH-UHFFFAOYSA-N

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

Synonyms:

• 1-Propanone, 1-(4-chloro-2-fluorophenyl)-3-(3,4-dimethylphenyl)-
• 1-(4-Chloro-2-fluorophenyl)-3-(3,4-dimethylphenyl)-1-propanone
• 4′-Chloro-3-(3,4-dimethylphenyl)-2′-fluoropropiophenone