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CAS 134227-45-5

:

3,4,5-Trifluorobenzonitrile

Description:
3,4,5-Trifluorobenzonitrile is an aromatic compound characterized by the presence of a benzene ring substituted with three fluorine atoms and a nitrile group (-C≡N). The fluorine atoms are located at the 3, 4, and 5 positions relative to the nitrile group, which significantly influences the compound's chemical properties, including its reactivity and polarity. This compound is typically a colorless to pale yellow liquid or solid, depending on the temperature, and is known for its relatively high stability due to the strong C-F bonds. It exhibits moderate solubility in organic solvents and is less soluble in water. The presence of the nitrile group contributes to its potential as a building block in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. Additionally, the trifluoromethyl substituents can enhance the lipophilicity and biological activity of derivatives formed from this compound. Safety precautions should be taken when handling this substance, as it may pose health risks upon exposure.
Formula:C7H2F3N
InChI:InChI=1S/C7H2F3N/c8-5-1-4(3-11)2-6(9)7(5)10/h1-2H
InChI key:InChIKey=XFKYJMGXZXJYBS-UHFFFAOYSA-N
SMILES:C(#N)C1=CC(F)=C(F)C(F)=C1
Synonyms:
  • 134227-45-5
  • 3,4,5-Trifluoro-1-Cyano Benzene
  • Benzonitrile, 3,4,5-trifluoro-
  • Ncr Cf Df Ef
  • 3,4,5-Trifluorobenzonitrile
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