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478253 Sigma-Aldrich

3-Chloro-2-methylphenyl isocyanate

98%

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Properties

Related Categories Building Blocks, Chemical Synthesis, Isocyanates, Nitrogen Compounds - Organic Building Blocks, Organic Building Blocks More...
assay   98%
refractive index   n20/D 1.56 (lit.)
bp   95 °C/9 mmHg (lit.)
density   1.247 g/mL at 25 °C (lit.)
SMILES string   Cc1c(Cl)cccc1N=C=O
InChI   1S/C8H6ClNO/c1-6-7(9)3-2-4-8(6)10-5-11/h2-4H,1H3
InChI key   NGQMCUWZGVMILT-UHFFFAOYSA-N

Description

General description

3-Chloro-2-methylphenyl isocyanate, also known as 1-chloro-3-isocyanato-2-methylbenzene, is an organic building block containing an isocyanate group. Its Raman spectra, infrared spectra, ab initio and density functional theory (DFT) calculations have been reported.

Application

3-Chloro-2-methylphenyl isocyanate may be used in the preparation of 4-(3-chloro-2-methylphenyl)-1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonyl)semicarbazide.

Packaging

5 g in glass bottle

Safety & Documentation

Safety Information

Symbol 
GHS07  GHS07
Signal word 
Warning
Hazard statements 
Precautionary statements 
RIDADR 
UN 2206PSN1B 6.1 / PGIII
WGK Germany 
3
Flash Point(F) 
230 °F
Flash Point(C) 
110 °C

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Protocols & Articles
Peer-Reviewed Papers
15

References

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