CAS 1138445-56-3

1-(1,1-Difluoropropyl)-3-(trifluoromethyl)benzene

Description:

1-(1,1-Difluoropropyl)-3-(trifluoromethyl)benzene, identified by its CAS number 1138445-56-3, is an organic compound characterized by the presence of a benzene ring substituted with both a trifluoromethyl group and a 1,1-difluoropropyl group. The trifluoromethyl group (-CF3) is known for its strong electron-withdrawing properties, which can significantly influence the compound's reactivity and stability. The 1,1-difluoropropyl substituent introduces additional steric and electronic effects, potentially affecting the compound's physical properties such as boiling point, melting point, and solubility. This compound is likely to be a colorless liquid or solid at room temperature, depending on its specific structure and intermolecular interactions. Its unique fluorinated groups may impart characteristics such as increased lipophilicity and thermal stability, making it of interest in various applications, including pharmaceuticals, agrochemicals, and materials science. However, detailed safety and handling information should be consulted due to the presence of fluorinated moieties, which can pose environmental and health risks.

Formula: C₁₀H₉F₅

InChI: InChI=1S/C10H9F5/c1-2-9(11,12)7-4-3-5-8(6-7)10(13,14)15/h3-6H,2H2,1H3

InChI key: InChIKey=QZZAGBTXNHCGCM-UHFFFAOYSA-N

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

Synonyms:

• 1-(1,1-Difluoropropyl)-3-(trifluoromethyl)benzene
• Benzene, 1-(1,1-difluoropropyl)-3-(trifluoromethyl)-