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CAS 1323966-20-6

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2-Fluoro-5-methyl-4-(trifluoromethyl)benzonitrile

Description:
2-Fluoro-5-methyl-4-(trifluoromethyl)benzonitrile is an organic compound characterized by its aromatic structure, which includes a benzene ring substituted with a fluorine atom, 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 its reactivity. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its molecular structure suggests potential applications in pharmaceuticals and agrochemicals, particularly due to the presence of the nitrile group, which can participate in various chemical reactions. Additionally, the fluorine substituents can impart unique electronic properties, making it a candidate for further studies in medicinal chemistry. Safety data should be consulted for handling, as fluorinated compounds can pose specific health and environmental risks. Overall, 2-Fluoro-5-methyl-4-(trifluoromethyl)benzonitrile is a compound of interest in synthetic organic chemistry and materials science.
Formula:C9H5F4N
InChI:InChI=1S/C9H5F4N/c1-5-2-6(4-14)8(10)3-7(5)9(11,12)13/h2-3H,1H3
InChI key:InChIKey=ITMYXYMYSSFKNP-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=C(C)C=C(C#N)C(F)=C1
Synonyms:
  • 2-Fluoro-5-methyl-4-(trifluoromethyl)benzonitrile
  • Benzonitrile, 2-fluoro-5-methyl-4-(trifluoromethyl)-
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