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CAS 50562-01-1

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1-Methyl-4-(2,2,2-trifluoroethyl)benzene

Description:
1-Methyl-4-(2,2,2-trifluoroethyl)benzene, also known by its CAS number 50562-01-1, 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 lipophilicity and potential volatility, due to the electronegative fluorine atoms. This substitution can also enhance the compound's stability and resistance to oxidation. The compound may exhibit interesting chemical reactivity, particularly in electrophilic aromatic substitution reactions, owing to the electron-donating nature of the methyl group and the electron-withdrawing characteristics of the trifluoroethyl group. Additionally, 1-Methyl-4-(2,2,2-trifluoroethyl)benzene may have applications in various fields, including pharmaceuticals and materials science, due to its distinctive chemical properties. Safety data should be consulted for handling and exposure guidelines, as fluorinated compounds can pose specific health and environmental risks.
Formula:C9H9F3
InChI:InChI=1S/C9H9F3/c1-7-2-4-8(5-3-7)6-9(10,11)12/h2-5H,6H2,1H3
InChI key:InChIKey=DSJJCEACYWFWAH-UHFFFAOYSA-N
SMILES:C(C(F)(F)F)C1=CC=C(C)C=C1
Synonyms:
  • Benzene, 1-methyl-4-(2,2,2-trifluoroethyl)-
  • 1-Methyl-4-(2,2,2-trifluoroethyl)benzene
  • 1-(2,2,2-Trifluoroethyl)-4-methylbenzene
  • NSC 142233
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