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CAS 916420-59-2

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3-Methyl-5-(trifluoromethoxy)benzonitrile

Description:
3-Methyl-5-(trifluoromethoxy)benzonitrile is an organic compound characterized by its aromatic structure, which includes a benzene ring substituted with a methyl group and a trifluoromethoxy group, along with a nitrile functional group. The presence of the trifluoromethoxy group imparts unique electronic properties, enhancing the compound's reactivity and solubility in various solvents. This compound is typically a solid at room temperature and exhibits moderate stability under standard conditions. Its nitrile group contributes to its potential applications in organic synthesis and pharmaceuticals, as it can participate in various chemical reactions, including nucleophilic additions and cycloadditions. The trifluoromethoxy group can also influence the compound's lipophilicity and biological activity, making it of interest in medicinal chemistry. Overall, 3-Methyl-5-(trifluoromethoxy)benzonitrile is a versatile compound with potential applications in various fields, including agrochemicals and material science, due to its distinctive structural features and functional groups.
Formula:C9H6F3NO
InChI:InChI=1S/C9H6F3NO/c1-6-2-7(5-13)4-8(3-6)14-9(10,11)12/h2-4H,1H3
InChI key:InChIKey=RUVNGFLRCPBNJK-UHFFFAOYSA-N
SMILES:O(C(F)(F)F)C1=CC(C#N)=CC(C)=C1
Synonyms:
  • Benzonitrile, 3-methyl-5-(trifluoromethoxy)-
  • 3-Methyl-5-(trifluoromethoxy)benzonitrile
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