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CAS 261952-06-1

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4-Methyl-3-(trifluoromethyl)benzonitrile

Description:
4-Methyl-3-(trifluoromethyl)benzonitrile, with the CAS number 261952-06-1, 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. This compound typically exhibits a high degree of lipophilicity due to the presence of the trifluoromethyl group, which can influence its solubility and reactivity. The nitrile group contributes to its polar character, making it a potential candidate for various chemical reactions, including nucleophilic additions. The trifluoromethyl group is known for imparting unique electronic properties, enhancing the compound's stability and potentially affecting its biological activity. In terms of physical properties, it may have a relatively high boiling point and low volatility compared to similar compounds, making it suitable for applications in pharmaceuticals, agrochemicals, and materials science. Safety data should be consulted for handling and exposure guidelines, as compounds with trifluoromethyl groups can exhibit toxicity and environmental persistence.
Formula:C9H6F3N
InChI:InChI=1/C9H6F3N/c1-6-2-3-7(5-13)4-8(6)9(10,11)12/h2-4H,1H3
SMILES:Cc1ccc(cc1C(F)(F)F)C#N
Synonyms:
  • Benzonitrile, 4-Methyl-3-(Trifluoromethyl)-
  • Ncr D1 Cxfff
  • 3-Trifluoromethyl-4-methylbenzonitrile
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