CAS 1204295-78-2

1-Methyl-4-(2,2,2-trifluoro-1-methylethyl)benzene

Description:

1-Methyl-4-(2,2,2-trifluoro-1-methylethyl)benzene, identified by its CAS number 1204295-78-2, is an organic compound characterized by a benzene ring substituted with a methyl group and a trifluoromethyl group attached to a branched alkyl chain. This compound features a trifluoromethyl group, which significantly influences its chemical properties, including increased lipophilicity and potential applications in various fields such as pharmaceuticals and agrochemicals. The presence of fluorine atoms enhances the compound's stability and alters its reactivity compared to non-fluorinated analogs. Additionally, the branched alkyl chain contributes to its steric hindrance, which can affect its interaction with biological targets. The compound is likely to be a colorless liquid at room temperature, exhibiting low volatility and moderate solubility in organic solvents. Its unique structure may also impart specific physical properties, such as a distinct boiling point and density, which are important for its handling and application in chemical processes. Overall, 1-Methyl-4-(2,2,2-trifluoro-1-methylethyl)benzene represents a class of fluorinated aromatic compounds with diverse potential uses.

Formula: C₁₀H₁₁F₃

InChI: InChI=1S/C10H11F3/c1-7-3-5-9(6-4-7)8(2)10(11,12)13/h3-6,8H,1-2H3

InChI key: InChIKey=CSHZLCPMFZLFQT-UHFFFAOYSA-N

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

Synonyms:

• 1-Methyl-4-(2,2,2-trifluoro-1-methylethyl)benzene
• 1-Methyl-4-(1,1,1-trifluoropropan-2-yl)benzene
• Benzene, 1-methyl-4-(2,2,2-trifluoro-1-methylethyl)-