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CAS 1806333-92-5

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2,6-Difluoro-3-(trifluoromethyl)benzonitrile

Description:
2,6-Difluoro-3-(trifluoromethyl)benzonitrile is an organic compound characterized by its aromatic structure, featuring a benzene ring substituted with two fluorine atoms at the 2 and 6 positions and a trifluoromethyl group at the 3 position, along with a nitrile functional group (-C≡N). This compound is typically a colorless to pale yellow solid, exhibiting high thermal stability and low volatility due to the presence of multiple fluorine atoms, which enhance its chemical robustness. The fluorine substituents contribute to its lipophilicity and can influence its reactivity, making it of interest in various chemical applications, including pharmaceuticals and agrochemicals. The nitrile group imparts polar characteristics, which can affect solubility in different solvents. Additionally, the compound may exhibit unique electronic properties due to the electron-withdrawing nature of the fluorine atoms, potentially impacting its behavior in chemical reactions and interactions with biological systems. Safety data should be consulted for handling and exposure guidelines, as fluorinated compounds can pose specific health and environmental risks.
Formula:C8H2F5N
InChI:InChI=1S/C8H2F5N/c9-6-2-1-5(8(11,12)13)7(10)4(6)3-14/h1-2H
InChI key:InChIKey=MSZXOQCUAPUNSY-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=C(F)C(C#N)=C(F)C=C1
Synonyms:
  • 2,6-Difluoro-3-(trifluoromethyl)benzonitrile
  • Benzonitrile, 2,6-difluoro-3-(trifluoromethyl)-
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