CAS 50562-00-0

1-methyl-3-(2,2,2-trifluoroethyl)benzene

Description:

1-Methyl-3-(2,2,2-trifluoroethyl)benzene, also known by its CAS number 50562-00-0, is an organic compound characterized by a benzene ring substituted with a methyl group and a trifluoroethyl group. This compound features a hydrophobic aromatic structure, which contributes to its relatively low solubility in water but higher solubility in organic solvents. The presence of the trifluoroethyl group imparts unique properties, such as increased volatility and potential applications in various chemical processes. The trifluoromethyl group is known for enhancing the lipophilicity and stability of the compound, making it of interest in fields such as pharmaceuticals and agrochemicals. Additionally, the compound may exhibit interesting electronic properties due to the electron-withdrawing nature of the trifluoroethyl group, influencing its reactivity and interaction with other chemical species. Safety data should be consulted for handling and exposure guidelines, as fluorinated compounds can have specific environmental and health considerations.

Formula: C₉H₉F₃

InChI: InChI=1/C9H9F3/c1-7-3-2-4-8(5-7)6-9(10,11)12/h2-5H,6H2,1H3

InChI key: InChIKey=TVCBUCYMSTYMTO-UHFFFAOYSA-N

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

Synonyms:

• 1-Methyl-3-(2,2,2-trifluoroethyl)benzene
• NSC 142230
• Benzene, 1-methyl-3-(2,2,2-trifluoroethyl)-

3-(2,2,2-Trifluoroethyl)toluene

CAS: 50562-00-0

3-(2,2,2-Trifluoroethyl)toluene

Purity: ≥95%

Molecular weight: 174.16g/mol

Ref: 54-PC50094