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CAS 2285-12-3

:

2-(Trifluoromethyl)phenyl isocyanate

Description:
2-(Trifluoromethyl)phenyl isocyanate, with the CAS number 2285-12-3, is an organic compound characterized by the presence of both an isocyanate functional group and a trifluoromethyl substituent on a phenyl ring. This compound typically appears as a colorless to pale yellow liquid and is known for its strong reactivity, particularly with nucleophiles, due to the electrophilic nature of the isocyanate group. The trifluoromethyl group enhances the compound's lipophilicity and can influence its chemical reactivity and stability. It is used in various applications, including the synthesis of pharmaceuticals and agrochemicals, where it serves as an important building block. Additionally, 2-(Trifluoromethyl)phenyl isocyanate may pose health hazards, as isocyanates are known to be irritants and sensitizers, necessitating careful handling and appropriate safety measures during use. Overall, this compound exemplifies the unique properties and reactivity associated with isocyanates, particularly when modified with electron-withdrawing groups like trifluoromethyl.
Formula:C8H4F3NO
InChI:InChI=1S/C8H4F3NO/c9-8(10,11)6-3-1-2-4-7(6)12-5-13/h1-4H
InChI key:InChIKey=GZWGTVZRRFPVAS-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=C(N=C=O)C=CC=C1
Synonyms:
  • 1-Isocyanato-2-(Trifluoromethyl)Benzene
  • 2-(Trifluoromethyl)phenyl isocyanate
  • 2-Isocyanatobenzotrifluoride~alpha,alpha,alpha-Trifluoro-o-tolyl isocyanate
  • 2-Trifluoromethylphenyl Isocyanate
  • Alpha,Alpha,Alpha-Trifluoro-Ortho-Tolyl Isocyanat
  • Benzene, 1-isocyanato-2-(trifluoromethyl)-
  • Isocyanic acid, α,α,α-trifluoro-o-tolyl ester
  • o-(Trifluoromethyl)phenyl isocyanate
  • α,α,α-Trifluoro-o-tolyl isocyanate
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