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CAS 261952-03-8

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2-Methyl-5-(trifluoromethyl)benzonitrile

Description:
2-Methyl-5-(trifluoromethyl)benzonitrile is an aromatic compound characterized by the presence of a benzonitrile core, which features a cyano group (-C≡N) attached to a benzene ring. The structure includes a methyl group (-CH₃) and a trifluoromethyl group (-CF₃) as substituents on the benzene ring, specifically at the 2 and 5 positions, respectively. This compound is typically a colorless to pale yellow solid and is known for its relatively high stability due to the strength of the carbon-fluorine bonds in the trifluoromethyl group. It exhibits moderate polarity and can participate in various chemical reactions, including nucleophilic substitutions and electrophilic aromatic substitutions. The presence of the trifluoromethyl group often enhances the lipophilicity and biological activity of the compound, making it of interest in pharmaceutical and agrochemical research. Additionally, its unique electronic properties can influence its reactivity and interactions in different chemical environments.
Formula:C9H6F3N
InChI:InChI=1/C9H6F3N/c1-6-2-3-8(9(10,11)12)4-7(6)5-13/h2-4H,1H3
SMILES:Cc1ccc(cc1C#N)C(F)(F)F
Synonyms:
  • 261952-03-8
  • Benzonitrile, 2-Methyl-5-(Trifluoromethyl)-
  • Ncr B1 Exfff
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