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4-Chloro-3-(trifluoromethyl)phenyl isocyanate

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

4-Chloro-3-(trifluoromethyl)phenyl isocyanate
SpectraBase Compound ID E2GfAEi8xr8
InChI InChI=1S/C8H3ClF3NO/c9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-3H
InChIKey NBJZEUQTGLSUOB-UHFFFAOYSA-N
Mol Weight 221.57 g/mol
Molecular Formula C8H3ClF3NO
Exact Mass 220.985526 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HEHa1PfaAsD
Name 4-Chloro-3-(trifluoromethyl)phenyl isocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 374881
CAS Registry Number 327-78-6
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H3ClF3NO
InChI 1S/C8H3ClF3NO/c9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-3H
InChIKey NBJZEUQTGLSUOB-UHFFFAOYSA-N
Observed nucleus 1H
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_1HNMR_007986