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CAS 261952-04-9

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3-methyl-5-(trifluoromethyl)benzonitrile

Description:
3-Methyl-5-(trifluoromethyl)benzonitrile is an organic compound characterized by its aromatic structure, which includes a benzene ring substituted with a methyl group and a trifluoromethyl group, as well as a nitrile functional group. The presence of the trifluoromethyl group significantly influences its chemical properties, enhancing its lipophilicity and potentially affecting its reactivity and biological activity. This compound typically exhibits a high degree of stability due to the strength of the carbon-fluorine bonds. It is often used in various applications, including pharmaceuticals and agrochemicals, due to its unique electronic properties and ability to participate in diverse chemical reactions. The nitrile group contributes to its polarity, making it soluble in polar solvents while maintaining a degree of hydrophobicity due to the aromatic system. Overall, 3-methyl-5-(trifluoromethyl)benzonitrile is a valuable compound in synthetic organic chemistry, with potential implications in material science and medicinal chemistry.
Formula:C9H6F3N
InChI:InChI=1/C9H6F3N/c1-6-2-7(5-13)4-8(3-6)9(10,11)12/h2-4H,1H3
SMILES:Cc1cc(cc(c1)C(F)(F)F)C#N
Synonyms:
  • 261952-04-9
  • Benzonitrile, 3-methyl-5-(trifluoromethyl)-
  • Ncr C1 Exfff
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