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CAS 886502-61-0

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5-Methyl-2-(trifluoromethyl)benzonitrile

Description:
5-Methyl-2-(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, along with 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 is typically a colorless to pale yellow solid and is known for its stability under standard conditions. It may exhibit moderate to high toxicity, necessitating careful handling in laboratory settings. The nitrile group contributes to its polar character, which can affect solubility in various solvents. Additionally, 5-Methyl-2-(trifluoromethyl)benzonitrile can participate in various chemical reactions, including nucleophilic substitutions and electrophilic aromatic substitutions, making it a valuable intermediate in organic synthesis and pharmaceutical development. Its unique combination of functional groups allows for diverse applications in materials science and medicinal chemistry.
Formula:C9H6F3N
InChI:InChI=1S/C9H6F3N/c1-6-2-3-8(9(10,11)12)7(4-6)5-13/h2-4H,1H3
InChI key:InChIKey=WLMSAHJSXOSVNE-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=C(C#N)C=C(C)C=C1
Synonyms:
  • 5-Methyl-2-(trifluoromethyl)benzonitrile
  • Benzonitrile, 5-methyl-2-(trifluoromethyl)-
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