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3-(Trifluoromethyl)phenyl isocyanate

View entire compound with spectra: 3 NMR, 8 FTIR, 2 Raman, and 1 MS (GC)

3-(Trifluoromethyl)phenyl isocyanate
SpectraBase Compound ID 25WbSZhnI9o
InChI InChI=1S/C8H4F3NO/c9-8(10,11)6-2-1-3-7(4-6)12-5-13/h1-4H
InChIKey SXJYSIBLFGQAND-UHFFFAOYSA-N
Mol Weight 187.12 g/mol
Molecular Formula C8H4F3NO
Exact Mass 187.024498 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5A6ijx11wAp
Name 3-(Trifluoromethyl)phenyl isocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 159387
CAS Registry Number 329-01-1
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H4F3NO
InChI InChI=1S/C8H4F3NO/c9-8(10,11)6-2-1-3-7(4-6)12-5-13/h1-4H
InChIKey SXJYSIBLFGQAND-UHFFFAOYSA-N
Molecular Weight 187.120 g/mol
Purity 97%
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms alpha,alpha,alpha-Trifluoro-m-tolyl isocyanate; alpha,alpha,alpha-Trifluoro-meta-tolylisocyanate
Wiley ID SIAL_VP-FTIR_001011