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CAS 886498-94-8

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3-Fluoro-4-(trifluoromethoxy)benzonitrile

Description:
3-Fluoro-4-(trifluoromethoxy)benzonitrile is an organic compound characterized by its aromatic structure, featuring a benzene ring substituted with a fluorine atom and a trifluoromethoxy group, as well as a cyano group (nitrile). The presence of the trifluoromethoxy group contributes to its unique electronic properties, enhancing its reactivity and potential applications in various chemical reactions. This compound is typically a solid at room temperature and exhibits moderate solubility in organic solvents. Its molecular structure suggests that it may have significant dipole moments due to the electronegative fluorine atoms, which can influence its interactions with other molecules. The compound is of interest in medicinal chemistry and materials science, particularly for its potential use in the development of pharmaceuticals or agrochemicals. Safety data should be consulted for handling, as compounds with multiple fluorine substituents can exhibit unique toxicity profiles. Overall, 3-Fluoro-4-(trifluoromethoxy)benzonitrile is a valuable compound in the field of synthetic organic chemistry.
Formula:C8H3F4NO
InChI:InChI=1S/C8H3F4NO/c9-6-3-5(4-13)1-2-7(6)14-8(10,11)12/h1-3H
InChI key:InChIKey=BMDFWWSJQONADD-UHFFFAOYSA-N
SMILES:O(C(F)(F)F)C1=C(F)C=C(C#N)C=C1
Synonyms:
  • Benzonitrile, 3-fluoro-4-(trifluoromethoxy)-
  • 3-Fluoro-4-(trifluoromethoxy)benzonitrile
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