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3-Chloro-4-methylphenyl isocyanate

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

3-Chloro-4-methylphenyl isocyanate
SpectraBase Compound ID Ei8UlERqvsK
InChI InChI=1S/C8H6ClNO/c1-6-2-3-7(10-5-11)4-8(6)9/h2-4H,1H3
InChIKey UKTKKMZDESVUEE-UHFFFAOYSA-N
Mol Weight 167.59 g/mol
Molecular Formula C8H6ClNO
Exact Mass 167.013792 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID EEoFcmVnUQP
Name 3-Chloro-4-methylphenyl isocyanate
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Catalog Number L12064
Lot Number 10178342
CAS Registry Number 28479-22-3
Color Properties Colorless
Copyright Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6ClNO
InChI InChI=1S/C8H6ClNO/c1-6-2-3-7(10-5-11)4-8(6)9/h2-4H,1H3
InChIKey UKTKKMZDESVUEE-UHFFFAOYSA-N
Instrument Name Bruker Tensor 27 FT-IR
Purity 98%
Source of Spectrum Bio-Rad Laboratories, Inc.
Technique Neat