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2-Trifluoromethyl-phenylisocyanate

View entire compound with spectra: 3 NMR, 6 FTIR, 2 Raman, and 1 MS (GC)

2-Trifluoromethyl-phenylisocyanate
SpectraBase Compound ID BZSivsPUiLw
InChI InChI=1S/C8H4F3NO/c9-8(10,11)6-3-1-2-4-7(6)12-5-13/h1-4H
InChIKey GZWGTVZRRFPVAS-UHFFFAOYSA-N
Mol Weight 187.12 g/mol
Molecular Formula C8H4F3NO
Exact Mass 187.024498 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID FPc2fL7GEgM
Name 2-(Trifluoromethyl)phenyl isocyanate
Catalog Number 159379
Brand ALDRICH
CAS Registry Number 2285-12-3
Copyright Copyright © 2017-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H4F3NO
Formula (reported) C8H4F3NO
InChI InChI=1S/C8H4F3NO/c9-8(10,11)6-3-1-2-4-7(6)12-5-13/h1-4H
InChIKey GZWGTVZRRFPVAS-UHFFFAOYSA-N
Purity 97%
Synonyms alpha,alpha,alpha-Trifluoro-o-tolyl isocyanate
Wiley ID SIAL_RAMAN_002144