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CAS 261945-30-6

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3,5-Difluoro-4-(trifluoromethyl)benzonitrile

Description:
3,5-Difluoro-4-(trifluoromethyl)benzonitrile is an organic compound characterized by its aromatic structure, which includes a benzene ring substituted with two fluorine atoms and a trifluoromethyl group, along with a nitrile functional group. The presence of multiple fluorine atoms contributes to its high electronegativity and lipophilicity, making it a compound of interest in various chemical applications, including pharmaceuticals and agrochemicals. The nitrile group (-C≡N) imparts significant polarity and can influence the compound's reactivity and solubility in organic solvents. This compound is typically synthesized through electrophilic aromatic substitution reactions, where the introduction of fluorine atoms is facilitated by specific reagents. Its physical properties, such as melting point, boiling point, and solubility, are influenced by the fluorinated substituents, which can enhance stability and alter intermolecular interactions. Due to its unique structure, 3,5-Difluoro-4-(trifluoromethyl)benzonitrile may exhibit interesting biological activities, making it a subject of research in medicinal chemistry.
Formula:C8H2F5N
InChI:InChI=1S/C8H2F5N/c9-5-1-4(3-14)2-6(10)7(5)8(11,12)13/h1-2H
InChI key:InChIKey=QMJKQADKFUOYPQ-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=C(F)C=C(C#N)C=C1F
Synonyms:
  • 3,5-Difluoro-4-(trifluoromethyl)benzonitrile
  • Benzonitrile, 3,5-difluoro-4-(trifluoromethyl)-
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