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CAS 1352999-93-9

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3-Fluoro-5-(trifluoromethoxy)benzonitrile

Description:
3-Fluoro-5-(trifluoromethoxy)benzonitrile is an organic compound characterized by its aromatic structure, which includes a benzene ring substituted with a fluorine atom and a trifluoromethoxy group, as well as a nitrile functional group. The presence of the trifluoromethoxy group contributes to its unique electronic properties, enhancing its reactivity and solubility in various solvents. This compound is typically a colorless to pale yellow solid at room temperature and exhibits moderate stability under standard conditions. Its molecular structure suggests potential applications in pharmaceuticals and agrochemicals, particularly due to the influence of fluorine substituents on biological activity. The nitrile group may also impart specific characteristics such as increased polarity and potential for hydrogen bonding. Additionally, the compound's synthesis and handling require careful consideration of safety protocols due to the presence of fluorinated groups, which can exhibit toxicity and environmental persistence. Overall, 3-Fluoro-5-(trifluoromethoxy)benzonitrile is a notable compound in the field of synthetic organic chemistry.
Formula:C8H3F4NO
InChI:InChI=1S/C8H3F4NO/c9-6-1-5(4-13)2-7(3-6)14-8(10,11)12/h1-3H
InChI key:InChIKey=WACIMAFLAUYVCN-UHFFFAOYSA-N
SMILES:O(C(F)(F)F)C1=CC(C#N)=CC(F)=C1
Synonyms:
  • Benzonitrile, 3-fluoro-5-(trifluoromethoxy)-
  • 3-Fluoro-5-(trifluoromethoxy)benzonitrile
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