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CAS 146070-34-0

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2-Fluoro-4-(trifluoromethyl)benzonitrile

Description:
2-Fluoro-4-(trifluoromethyl)benzonitrile is an aromatic compound characterized by the presence of a fluorine atom and a trifluoromethyl group attached to a benzene ring, along with a nitrile functional group. Its molecular structure features a benzene ring substituted at the 2-position with a fluorine atom and at the 4-position with a trifluoromethyl group, while the nitrile (-C≡N) group is typically located at the 1-position. This compound is known for its relatively high stability due to the strength of the carbon-fluorine bonds and the electron-withdrawing nature of the trifluoromethyl group, which can influence its reactivity and solubility in various solvents. It is often utilized in organic synthesis and may serve as an intermediate in the production of pharmaceuticals or agrochemicals. The presence of multiple fluorine atoms enhances its lipophilicity and can affect its biological activity. Safety data should be consulted for handling and exposure, as fluorinated compounds can exhibit unique toxicological profiles.
Formula:C8H3F4N
InChI:InChI=1S/C8H3F4N/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-3H
InChI key:InChIKey=JLTYVTXTSOYXMX-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=CC(F)=C(C#N)C=C1
Synonyms:
  • 2-Fluoro-4-Trifluoromethylbenzonitrile
  • 3-Fluoro-4-cyano-benzotrifluoride
  • Benzonitrile, 2-fluoro-4-(trifluoromethyl)-
  • 2-Fluoro-4-(trifluoromethyl)benzonitrile
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