CAS 898767-47-0

1-Propanone, 1-(4-bromo-2-fluorophenyl)-3-(3-fluorophenyl)-

Description:

1-Propanone, 1-(4-bromo-2-fluorophenyl)-3-(3-fluorophenyl)-, identified by CAS number 898767-47-0, is an organic compound characterized by its ketone functional group, which is central to its chemical structure. This compound features a propanone backbone with two aromatic substituents: a 4-bromo-2-fluorophenyl group and a 3-fluorophenyl group. The presence of halogen atoms, specifically bromine and fluorine, contributes to its unique reactivity and potential applications in various chemical reactions, including electrophilic aromatic substitution. The molecular structure suggests that it may exhibit interesting physical properties such as solubility in organic solvents and potential volatility. Additionally, the presence of multiple fluorine atoms can enhance lipophilicity and influence the compound's biological activity. As with many halogenated compounds, it is essential to consider environmental and health implications, as well as regulatory aspects, when handling or utilizing this substance in research or industrial applications.

Formula: C₁₅H₁₁BrF₂O

InChI: InChI=1S/C15H11BrF2O/c16-11-5-6-13(14(18)9-11)15(19)7-4-10-2-1-3-12(17)8-10/h1-3,5-6,8-9H,4,7H2

InChI key: InChIKey=POZDFDXTUPWKKG-UHFFFAOYSA-N

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

Synonyms:

• 1-(4-Bromo-2-fluorophenyl)-3-(3-fluorophenyl)-1-propanone
• 1-Propanone, 1-(4-bromo-2-fluorophenyl)-3-(3-fluorophenyl)-
• 4′-Bromo-2′-fluoro-3-(3-fluorophenyl)propiophenone