CAS 898750-94-2

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

Description:

1-Propanone, 3-(3-chloro-5-fluorophenyl)-1-(2-fluorophenyl)-, identified by CAS number 898750-94-2, 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 2-fluorophenyl group. The presence of halogen atoms, specifically chlorine and fluorine, contributes to its chemical reactivity and potential biological activity. The compound is likely to exhibit moderate polarity due to the electronegative halogens, influencing its solubility in various solvents. Additionally, the structural arrangement may impart specific steric and electronic properties, making it of interest in medicinal chemistry and material science. Its synthesis and applications may be explored in the context of pharmaceuticals or agrochemicals, where such substituted aromatic ketones can play a role in drug design or as intermediates in chemical reactions. Safety and handling precautions should be observed, as with all chemical substances, due to potential toxicity or reactivity.

Formula: C₁₅H₁₁ClF₂O

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

InChI key: InChIKey=QJVXOMWOMCBZMB-UHFFFAOYSA-N

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

Synonyms:

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