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CAS 261952-05-0

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4-Methyl-2-(trifluoromethyl)benzonitrile

Description:
4-Methyl-2-(trifluoromethyl)benzonitrile, with the CAS number 261952-05-0, is an organic compound characterized by its aromatic structure, which includes a benzene ring substituted with a methyl group and a trifluoromethyl group, alongside a nitrile functional group. This compound typically exhibits a high degree of lipophilicity due to the presence of the trifluoromethyl group, which can enhance its biological activity and influence its solubility in organic solvents. The nitrile group contributes to its reactivity, making it a potential candidate for various chemical reactions, including nucleophilic additions. Additionally, the presence of fluorine atoms often imparts unique electronic properties, affecting the compound's stability and interaction with other molecules. 4-Methyl-2-(trifluoromethyl)benzonitrile may be utilized in pharmaceutical research and development, particularly in the synthesis of biologically active compounds. Its physical properties, such as boiling point and melting point, are influenced by its molecular structure and substituents, making it an interesting subject for further study in organic chemistry.
Formula:C9H6F3N
InChI:InChI=1S/C9H6F3N/c1-6-2-3-7(5-13)8(4-6)9(10,11)12/h2-4H,1H3
InChI key:InChIKey=WCZWEODOIUKVHX-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=C(C#N)C=CC(C)=C1
Synonyms:
  • Benzonitrile, 4-methyl-2-(trifluoromethyl)-
  • 4-Methyl-2-(trifluoromethyl)benzonitrile
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