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4-Chlorophenylisocyanate

View entire compound with spectra: 1 NMR, 6 FTIR, 2 Raman, and 9 MS (GC)

4-Chlorophenylisocyanate
SpectraBase Compound ID 6CQaKNrMlB
InChI InChI=1S/C7H4ClNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H
InChIKey ADAKRBAJFHTIEW-UHFFFAOYSA-N
Mol Weight 153.57 g/mol
Molecular Formula C7H4ClNO
Exact Mass 152.998141 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 7VjnR2WZz5k
Name 4-Chlorophenyl isocyanate
Source of Sample Aldrich
Catalog Number 152277
CAS Registry Number 104-12-1
Classification Aromatic nitriles & cumulated double bonds
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H4ClNO
InChI InChI=1S/C7H4ClNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H
InChIKey ADAKRBAJFHTIEW-UHFFFAOYSA-N
Purity 98%
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 4-Isocyanato chlorobenzene
Technique Melt
Wiley ID SIAL_FTIR_1_1594