478598

2-Chlorobenzenesulfonyl isocyanate

90%

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

Properties

• 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
• SMILES string: Clc1ccccc1S(=O)(=O)N=C=O
• InChI: 1S/C7H4ClNO3S/c8-6-3-1-2-4-7(6)13(11,12)9-5-10/h1-4H
• InChI key: LALCDSDHLXWTTL-UHFFFAOYSA-N

Description

General description

2-Chlorobenzenesulfonyl isocyanate is an aryl isocyanate that can be synthesized by the catalytic carbonylation of potassium N,2- dichlorobenzenesulfonamidate in acetonitrile.[1] The C-acylation of nitrogen bearing heterocycles using 2-chlorobenzenesulfonyl isocyanate has been reported.[2]

Application

2-Chlorobenzenesulfonyl isocyanate may be used in the synthesis of N-thiazolyl-N′-(2-chlorobenzenesulfonyl)urea derivatives[3] and N-(2-chlorophenylsulfonyl)-N′-(4-methoxy-6-methyl-triazin-2-yl)urea.[1]

Safety Information

• pictograms: GHS08,GHS05
• signalword: Danger
• hcodes: H314,H317,H334
• pcodes: P261 - P272 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Eye Dam. 1 - Resp. Sens. 1 - Skin Corr. 1B - Skin Sens. 1
• Storage Class: 8A - Combustible corrosive hazardous materials
• wgk_germany: 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