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CAS 139057-86-6

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4-FLUORO-3-(TRIFLUOROMETHYL)PHENYL ISOCYANATE

Description:
4-Fluoro-3-(trifluoromethyl)phenyl isocyanate is an organic compound characterized by its isocyanate functional group (-N=C=O) attached to a phenyl ring that has both a fluorine atom and a trifluoromethyl group (-CF3) as substituents. This compound is typically a colorless to pale yellow liquid or solid, depending on the temperature and purity. It is known for its reactivity, particularly in forming urethanes and other derivatives through reactions with alcohols and amines. The presence of the trifluoromethyl group enhances its lipophilicity and can influence its biological activity, making it of interest in medicinal chemistry and agrochemical applications. Additionally, the fluorine substituents can impart unique electronic properties, affecting the compound's stability and reactivity. Due to its potential hazards, including toxicity and reactivity, appropriate safety measures should be taken when handling this substance in laboratory or industrial settings.
Formula:C8H3F4NO
InChI:InChI=1/C8H3F4NO/c9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-3H
SMILES:c1cc(c(cc1N=C=O)C(F)(F)F)F
Synonyms:
  • Timtec-Bb Sbb006632
  • 4-Fluor-3-(Trifluormethyl)-Phenylisocyan
  • Benzene, 1-fluoro-4-isocyanato-2-(trifluoromethyl)- (9CI)
  • 1-Fluoro-4-Isocyanato-2-(Trifluoromethyl)Benzene
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