CAS 898777-58-7

1-Propanone, 1-(2-methylphenyl)-3-(3,4,5-trifluorophenyl)-

Description:

1-Propanone, 1-(2-methylphenyl)-3-(3,4,5-trifluorophenyl)-, also known by its CAS number 898777-58-7, is an organic compound characterized by its ketone functional group. This substance features a propanone backbone with two distinct aromatic substituents: a 2-methylphenyl group and a 3,4,5-trifluorophenyl group. The presence of the trifluoromethyl groups significantly influences its chemical properties, enhancing its lipophilicity and potentially altering its reactivity and stability. The compound is likely to exhibit moderate volatility and solubility in organic solvents, typical of aromatic ketones. Its molecular structure suggests potential applications in pharmaceuticals or as an intermediate in organic synthesis, given the presence of both electron-donating and electron-withdrawing groups. Additionally, the trifluoromethyl group may impart unique electronic properties, making it of interest in materials science and medicinal chemistry. Safety data should be consulted for handling and storage, as with all chemical substances, to ensure proper precautions are taken.

Formula: C₁₆H₁₃F₃O

InChI: InChI=1/C16H13F3O/c1-10-4-2-3-5-12(10)15(20)7-6-11-8-13(17)16(19)14(18)9-11/h2-5,8-9H,6-7H2,1H3

InChI key: InChIKey=BLNMECJRPGJBEA-UHFFFAOYSA-N

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

Synonyms:

• 1-(2-Methylphenyl)-3-(3,4,5-trifluorophenyl)-1-propanone
• 1-Propanone, 1-(2-methylphenyl)-3-(3,4,5-trifluorophenyl)-