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4-Chloro-2-methylphenyl isocyanate

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

4-Chloro-2-methylphenyl isocyanate
SpectraBase Compound ID 4GIHum2Pt27
InChI InChI=1S/C8H6ClNO/c1-6-4-7(9)2-3-8(6)10-5-11/h2-4H,1H3
InChIKey FTZJLXIATZSKIL-UHFFFAOYSA-N
Mol Weight 167.59 g/mol
Molecular Formula C8H6ClNO
Exact Mass 167.013792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7aA68JS5LT8
Name 4-Chloro-1-isocyanato-2-methylbenzene
CAS Registry Number 37408-18-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6ClNO
InChI InChI=1S/C8H6ClNO/c1-6-4-7(9)2-3-8(6)10-5-11/h2-4H,1H3
InChIKey FTZJLXIATZSKIL-UHFFFAOYSA-N
Molecular Weight 167.595 g/mol
SMILES Cc1cc(ccc1N=C=O)Cl
SPLASH splash10-015i-1900000000-4a27079e5826a4075ee7
Source of Spectrum IC-323-0-0
Synonyms 4-Chloranyl-1-isocyanato-2-methyl-benzene 4-Chloro-2-methylphenyl isocyanate 4-Chloro-o-tolyl isocyanate
Wiley ID 1163467