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Merck
CN

471615

4-Chlorobenzenesulfonyl isocyanate

97%

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About This Item

Linear Formula:
ClC6H4SO2NCO
CAS Number:
5769-15-3
Molecular Weight:
217.63
UNSPSC Code:
12352100
PubChem Substance ID:
24870748
MDL number:
MFCD00009978
Assay:
97%

Key Documents

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bp

121 °C/0.5 mmHg (lit.)

InChI

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

SMILES string

Clc1ccc(cc1)S(=O)(=O)N=C=O

InChI key

JGHDVROWMPBQSR-UHFFFAOYSA-N

assay

97%

refractive index

n20/D 1.558 (lit.)

density

1.457 g/mL at 25 °C (lit.)

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Application

4-Chlorobenzenesulfonyl isocyanate may be used as starting reagent in the synthesis of 2-chloroethyl 4-chlorobenzenesulfonyl carbamate and 1-chloro-2-propyl 4-chlorobenzenesulfonyl carbamate.

General description

4-Chlorobenzenesulfonyl isocyanate is an isocyanate derivative.

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Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - 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
03811HH
20631MI
12805MU
09813MB
00715CO

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Chemistry of sulfonyl isocyanates and sulfonyl isothiocyanates. IX. Routes to substituted oxazolidin-2-ones and oxazolidine-2-thiones.
McFarland JW, et al.
Journal of Heterocyclic Chemistry, 17(2), 271-272 (1980)
Acetylative cleavage of (arylsulfonyl) ureas to N-acetylarenesulfonamides and isocyanates.
Nagasawa HT, et al.
The Journal of Organic Chemistry, 50(24), 4993-4996 (1985)

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