CAS 898794-40-6

1-Propanone, 1-(3-chloro-5-fluorophenyl)-3-(2,4-dimethylphenyl)-

Description:

1-Propanone, 1-(3-chloro-5-fluorophenyl)-3-(2,4-dimethylphenyl)-, also known by its CAS number 898794-40-6, 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 2,4-dimethylphenyl group. The presence of chlorine and fluorine atoms in the aromatic ring contributes to its unique chemical properties, potentially influencing its reactivity and interactions in various chemical environments. The compound is likely to exhibit moderate polarity due to the electronegative halogen substituents, which can affect its solubility in organic solvents. Additionally, the presence of multiple methyl groups in the structure may enhance steric hindrance, impacting its reactivity and potential applications in organic synthesis or medicinal chemistry. Overall, this compound's specific characteristics, including its molecular structure and substituents, make it of interest in various fields, including pharmaceuticals and materials science.

Formula: C₁₇H₁₆ClFO

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

InChI key: InChIKey=ZDMIVUFLHVMVBS-UHFFFAOYSA-N

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

Synonyms:

• 1-(3-Chloro-5-fluorophenyl)-3-(2,4-dimethylphenyl)-1-propanone
• 1-Propanone, 1-(3-chloro-5-fluorophenyl)-3-(2,4-dimethylphenyl)-
• 3′-Chloro-3-(2,4-dimethylphenyl)-5′-fluoropropiophenone