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CAS 149793-69-1

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3-fluoro-5-(trifluoromethyl)benzonitrile

Description:
3-Fluoro-5-(trifluoromethyl)benzonitrile is an aromatic compound characterized by the presence of a nitrile group (-C≡N) attached to a benzene ring that also features a fluorine atom and a trifluoromethyl group (-CF3) at specific positions. The molecular structure indicates that it has a high degree of fluorination, which typically enhances its lipophilicity and stability, making it useful in various chemical applications, including pharmaceuticals and agrochemicals. The presence of the trifluoromethyl group often imparts unique electronic properties, influencing the compound's reactivity and interaction with biological systems. This compound is likely to be a solid at room temperature, exhibiting moderate to high melting and boiling points due to the strong intermolecular forces associated with its polar functional groups. Additionally, its fluorinated nature may contribute to low solubility in water but increased solubility in organic solvents. Safety data should be consulted for handling, as fluorinated compounds can pose specific health and environmental risks.
Formula:C8H3F4N
InChI:InChI=1/C8H3F4N/c9-7-2-5(4-13)1-6(3-7)8(10,11)12/h1-3H
SMILES:c1c(cc(cc1C(F)(F)F)F)C#N
Synonyms:
  • 3-Cyano-5-fluorobenzotrifluoride
  • alpha,alpha,alpha,5-Tetrafluoro-m-tolunitrile
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