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CAS 329-01-1

:

3-(Trifluoromethyl)phenyl isocyanate

Description:
3-(Trifluoromethyl)phenyl isocyanate, with the CAS number 329-01-1, is an organic compound characterized by the presence of an isocyanate functional group (-N=C=O) attached to a phenyl ring that has a trifluoromethyl group (-CF3) in the meta position. This compound is typically a colorless to pale yellow liquid with a pungent odor. It is known for its reactivity, particularly in forming urethanes and other derivatives through reactions with alcohols and amines. The trifluoromethyl group imparts unique electronic properties, enhancing the compound's lipophilicity and stability, while also influencing its reactivity. 3-(Trifluoromethyl)phenyl isocyanate is utilized in various applications, including the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. Due to its isocyanate functionality, it is important to handle this compound with care, as isocyanates can be hazardous, causing respiratory irritation and sensitization. Proper safety measures, including the use of personal protective equipment, are essential when working with this substance.
Formula:C8H4F3NO
InChI:InChI=1S/C8H4F3NO/c9-8(10,11)6-2-1-3-7(4-6)12-5-13/h1-4H
InChI key:InChIKey=SXJYSIBLFGQAND-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=CC(N=C=O)=CC=C1
Synonyms:
  • 1-(Trifluoromethyl)-3-[isocyanato]benzene
  • 1-Isocyanato-3-(Trifluoromethyl)Benzene
  • 3-Isocyanatobenzotrifluoride~alpha,alpha,alpha-Trifluoro-m-tolyl isocyanate
  • 3-Trifluromethylphenyl isocyanate
  • Alpha,Alpha,Alpha-Trifluoro-3-Tolyl Isocyanate
  • Alpha,Alpha,Alpha-Trifluoro-Meta-Tolyl Isocyanate
  • Benzene, 1-isocyanato-3-(trifluoromethyl)-
  • Isocyanic acid, α,α,α-trifluoro-m-tolyl ester
  • m-(Trifluoromethyl)phenyl isocyanate
  • α,α,α-Trifluoro-3-tolyl isocyanate
  • See more synonyms
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