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2-Chloro-5-(trifluoromethyl)phenyl isocyanate

View entire compound with spectra: 2 NMR, 3 FTIR, and 1 Raman

2-Chloro-5-(trifluoromethyl)phenyl isocyanate
SpectraBase Compound ID 3sQD2KUWKOG
InChI InChI=1S/C8H3ClF3NO/c9-6-2-1-5(8(10,11)12)3-7(6)13-4-14/h1-3H
InChIKey WEPYOPYMWSHRIW-UHFFFAOYSA-N
Mol Weight 221.57 g/mol
Molecular Formula C8H3ClF3NO
Exact Mass 220.985526 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 26qqPIqO90o
Name 2-Chloro-5-(trifluoromethyl)phenyl isocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 374865
CAS Registry Number 50528-86-4
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H3ClF3NO
InChI InChI=1S/C8H3ClF3NO/c9-6-2-1-5(8(10,11)12)3-7(6)13-4-14/h1-3H
InChIKey WEPYOPYMWSHRIW-UHFFFAOYSA-N
Observed nucleus 13C
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_008057