CAS 1138445-16-5

1-(1,1-Difluoroethyl)-2-fluoro-4-(trifluoromethyl)benzene

Description:

1-(1,1-Difluoroethyl)-2-fluoro-4-(trifluoromethyl)benzene, identified by its CAS number 1138445-16-5, is a fluorinated aromatic compound characterized by the presence of multiple fluorine substituents on a benzene ring. This compound features a difluoroethyl group attached to the benzene, along with a trifluoromethyl group and an additional fluorine atom at specific positions on the aromatic ring. The presence of these electronegative fluorine atoms significantly influences its chemical properties, including increased lipophilicity and potential reactivity. Such fluorinated compounds are often studied for their applications in pharmaceuticals, agrochemicals, and materials science due to their unique electronic and steric properties. The compound's structure suggests it may exhibit interesting physical properties, such as altered boiling and melting points compared to non-fluorinated analogs. Additionally, the presence of multiple fluorine atoms can enhance stability against oxidation and hydrolysis, making it a candidate for various industrial applications. However, specific safety and handling guidelines should be followed due to the potential toxicity associated with fluorinated compounds.

Formula: C₉H₆F₆

InChI: InChI=1S/C9H6F6/c1-8(11,12)6-3-2-5(4-7(6)10)9(13,14)15/h2-4H,1H3

InChI key: InChIKey=DHZGEEQKPILWNP-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C1=CC(F)=C(C(C)(F)F)C=C1

Synonyms:

• Benzene, 1-(1,1-difluoroethyl)-2-fluoro-4-(trifluoromethyl)-
• 1-(1,1-Difluoroethyl)-2-fluoro-4-(trifluoromethyl)benzene