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CAS 1373920-92-3

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4-Fluoro-3-methyl-5-(trifluoromethyl)benzonitrile

Description:
4-Fluoro-3-methyl-5-(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 it could participate in various chemical reactions, including nucleophilic substitutions and electrophilic aromatic substitutions, due to the electron-withdrawing effects of the fluorine and trifluoromethyl groups. Additionally, the nitrile group contributes to its polarity and can engage in hydrogen bonding interactions. This compound may find applications in pharmaceuticals, agrochemicals, or materials science, where fluorinated compounds are often valued for their unique properties. Safety data should be consulted for handling and potential hazards associated with this substance.
Formula:C9H5F4N
InChI:InChI=1S/C9H5F4N/c1-5-2-6(4-14)3-7(8(5)10)9(11,12)13/h2-3H,1H3
InChI key:InChIKey=LHJDUSUXBSSXAY-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=CC(C#N)=CC(C)=C1F
Synonyms:
  • Benzonitrile, 4-fluoro-3-methyl-5-(trifluoromethyl)-
  • 4-Fluoro-3-methyl-5-(trifluoromethyl)benzonitrile
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