CAS 898767-29-8

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

Description:

1-Propanone, 1-(3-chloro-4-fluorophenyl)-3-(3-fluorophenyl)-, identified by its CAS number 898767-29-8, is an organic compound characterized by its ketone functional group. This substance features a propanone backbone with two distinct aromatic substituents: a 3-chloro-4-fluorophenyl group and a 3-fluorophenyl group. The presence of halogen atoms, specifically chlorine and fluorine, contributes to its chemical reactivity and potential applications in various fields, including pharmaceuticals and agrochemicals. The compound is likely to exhibit moderate to high lipophilicity due to its aromatic structures, which can influence its solubility and bioavailability. Additionally, the specific arrangement of substituents may impart unique electronic properties, affecting its interaction with biological targets. As with many organic compounds, safety data should be consulted to understand its toxicity and handling requirements. Overall, this compound represents a complex structure with potential utility in synthetic chemistry and medicinal applications.

Formula: C₁₅H₁₁ClF₂O

InChI: InChI=1S/C15H11ClF2O/c16-13-9-11(5-6-14(13)18)15(19)7-4-10-2-1-3-12(17)8-10/h1-3,5-6,8-9H,4,7H2

InChI key: InChIKey=OJVZMNXHPGDDJV-UHFFFAOYSA-N

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

Synonyms:

• 1-Propanone, 1-(3-chloro-4-fluorophenyl)-3-(3-fluorophenyl)-
• 1-(3-Chloro-4-fluorophenyl)-3-(3-fluorophenyl)-1-propanone
• 3′-Chloro-4′-fluoro-3-(3-fluorophenyl)-propiophenone