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Merck
CN

478598

2-Chlorobenzenesulfonyl isocyanate

90%

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About This Item

Linear Formula:
ClC6H4SO2NCO
CAS Number:
64900-65-8
Molecular Weight:
217.63
UNSPSC Code:
12352100
PubChem Substance ID:
24871526
MDL number:
MFCD00037078

Key Documents

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Product Name

2-Chlorobenzenesulfonyl isocyanate, 90%

InChI

1S/C7H4ClNO3S/c8-6-3-1-2-4-7(6)13(11,12)9-5-10/h1-4H

SMILES string

Clc1ccccc1S(=O)(=O)N=C=O

InChI key

LALCDSDHLXWTTL-UHFFFAOYSA-N

assay

90%

impurities

10% 2-chlorobenzenesulfonyl chloride

refractive index

n20/D 1.559 (lit.)

bp

285 °C (lit.)

density

1.484 g/mL at 25 °C (lit.)

storage temp.

2-8°C

Application

2-Chlorobenzenesulfonyl isocyanate may be used in the synthesis of N-thiazolyl-N′-(2-chlorobenzenesulfonyl)urea derivatives and N-(2-chlorophenylsulfonyl)-N′-(4-methoxy-6-methyl-triazin-2-yl)urea.

General description

2-Chlorobenzenesulfonyl isocyanate is an aryl isocyanate that can be synthesized by the catalytic carbonylation of potassium N,2- dichlorobenzenesulfonamidate in acetonitrile. The C-acylation of nitrogen bearing heterocycles using 2-chlorobenzenesulfonyl isocyanate has been reported.

pictograms

Health hazardCorrosion
GHS08,GHS05

signalword

Danger

Hazard Classifications

Eye Dam. 1 - Resp. Sens. 1 - Skin Corr. 1B - Skin Sens. 1

Storage Class

8A - Combustible corrosive hazardous materials

wgk

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
10728LH
11404LR
09406KB
05416MI
12905MU

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Thiazolecarboxylic acid derivatives. 1. N-substituted 2-amino-4-methylthiazole-5-carboxylic acid derivatives.
Dovlatyan VV, et al.
Chemistry of Heterocyclic Compounds, 40(1), 84-89 (2004)
Catalytic carbonylation of potassium N,2-dichlorobenzenesulfonamidate to sulfonyl isocyanate.
Besenyei G, et al.
Reaction Kinetics and Catalysis Letters, 62(2), 321-326 (1997)
C-Acylation of Electron-Rich Heterocycles by o-Chlorobenzenesulfonyl Isocyanate.
Nam NL, et al.
ChemInform, 27(35) (1996)

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