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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

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID OpNuPCPoRR
Name 4-Chloro-3-(trifluoromethyl)phenyl isocyanate
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Catalog Number L12016
Lot Number 10169427
CAS Registry Number 327-78-6
Color Properties White
Copyright Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H3ClF3NO
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
Instrument Name Bruker Tensor 27 FT-IR
Molecular Weight 221.566 g/mol
Purity 97%
Source of Spectrum Bio-Rad Laboratories, Inc.
Technique ATR-Neat (DuraSamplIR II)