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4-Chlorophenylisocyanate

View entire compound with spectra: 1 NMR, 6 FTIR, 2 Raman, and 11 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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AXlsbqMex8U
Name 4-Chlorophenyl isocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 152277
CAS Registry Number 104-12-1
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H4ClNO
InChI 1S/C7H4ClNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H
InChIKey ADAKRBAJFHTIEW-UHFFFAOYSA-N
Molecular Weight 153.570 g/mol
Purity 98%
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 4-Isocyanato chlorobenzene
Wiley ID SIAL_VP-FTIR_000874