CAS 898790-93-7

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

Description:

1-Propanone, 1-(3-chloro-4-fluorophenyl)-3-(3-methylphenyl)-, also known by its CAS number 898790-93-7, 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-methylphenyl group. The presence of halogen atoms, such as chlorine and fluorine, typically influences the compound's reactivity and physical properties, including its boiling point and solubility. The aromatic rings contribute to the compound's stability and can affect its electronic properties, making it potentially useful in various chemical applications, including pharmaceuticals and agrochemicals. Additionally, the presence of the methyl group on one of the phenyl rings may enhance its lipophilicity, impacting its biological activity and interactions. As with many organic compounds, safety data should be consulted to understand its handling, storage, and potential hazards.

Formula: C₁₆H₁₄ClFO

InChI: InChI=1S/C16H14ClFO/c1-11-3-2-4-12(9-11)5-8-16(19)13-6-7-15(18)14(17)10-13/h2-4,6-7,9-10H,5,8H2,1H3

InChI key: InChIKey=GXGHKIAGQWFKOA-UHFFFAOYSA-N

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

Synonyms:

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