CAS 898779-71-0

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

Description:

1-Propanone, 1-(3-chloro-5-fluorophenyl)-3-(3,4-dimethylphenyl)-, also known by its CAS number 898779-71-0, is an organic compound characterized by its ketone functional group, which is central to its structure. This compound features a propanone backbone with two distinct aromatic substituents: a 3-chloro-5-fluorophenyl group and a 3,4-dimethylphenyl group. The presence of halogen atoms, such as chlorine and fluorine, often influences the compound's reactivity, polarity, and potential biological activity. The dimethyl substitution on the phenyl ring can affect steric hindrance and electronic properties, which may play a role in its interactions in chemical reactions or biological systems. Typically, compounds of this nature may exhibit properties such as moderate solubility in organic solvents and potential applications in pharmaceuticals or agrochemicals, depending on their specific reactivity and biological activity. Safety data and handling precautions should be considered due to the presence of halogens and the potential for toxicity.

Formula: C₁₇H₁₆ClFO

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

InChI key: InChIKey=SFXANJHPPWHQCT-UHFFFAOYSA-N

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

Synonyms:

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