Description

Chlorosulfonyl Isocyanate (CAS 1189-71-5) is a highly reactive and versatile chemical reagent with the molecular formula CClNO₃S and IUPAC name N-(oxomethylidene)sulfamoyl chloride. This colorless to pale yellow liquid is widely used in organic synthesis due to its ability to introduce both the isocyanate and sulfonyl chloride functional groups. It is particularly valued for its role in the preparation of heterocyclic compounds, pharmaceuticals, and agrochemical intermediates. Chlorosulfonyl isocyanate is moisture-sensitive and should be handled under inert conditions to prevent hydrolysis. Available in high purity grades (>98%), it is suitable for research, process development, and industrial applications. Proper storage in sealed containers under dry, cool conditions is essential to maintain stability.

Properties

• CAS Number: 1189-71-5
• Complexity: 181
• IUPAC Name: N-(oxomethylene)sulfamoyl chloride
• InChI: InChI=1S/CClNO3S/c2-7(5,6)3-1-4
• InChI Key: WRJWRGBVPUUDLA-UHFFFAOYSA-N
• Exact Mass: 140.9287417
• Molecular Formula: CClNO3S
• Molecular Weight: 141.53
• SMILES: C(=NS(=O)(=O)Cl)=O
• Topological: 72
• Monoisotopic Mass: 140.9287417
• Synonyms: Chlorosulfonyl isocyanate, Sulfuryl chloride isocyanate, N-Carbonylsulfamyl chloride, Chlorosulphonyl isocyanate, chlorsulfonyl isocyanate, N-Chlorosulfonyl isocyanate, [(CHLOROSULFONYL)IMINO]METHANONE, ClSO2NCO, UNII-2903Y990SM, EINECS 214-715-2, chlorosulfonyl isocyanic acid, Sulfuryl-chloride-isocyanate-, DTXSID0061585, EC 214-715-2, ((chlorosulfonyl)imino)methanone, CHLOROSULFURIC ACID, ANHYDRIDE WITH ISOCYANIC ACID, ISOCYANIC ACID, ANHYDRIDE WITH CHLOROSULFONIC ACID, n-chlorosulfonylisocyanate, DTXCID1033458, wrjwrgbvpuudla-uhfffaoysa-n, 1189-71-5, Chlorosulfonylisocyanate, sulfurisocyanatidic chloride, N-(oxomethylidene)sulfamoyl chloride, MFCD00011608, sulfurisocyanatidoyl chloride, 2903Y990SM, N-(oxomethylene)sulfamoyl chloride, chlorsulfonylisocyanate, chlorosufonyl isocyanate, chlorosulfonyl isocynate, chlorosulphonylisocyanate, chlorosulfonyl-isocyanate, chloro sulfonyl isocyanate, chloro-sulfonyl isocyanate, chlorosulfonyl- isocyanate, Chloro-sulfonyl-isocyanate, chloro sulphonyl isocyanate, isocyanatosulphuryl chloride, Sulfonyl chloride isocyanate, sulfonyl isocyanate chloride, Isocyanatidosulfuryl chloride, sulphonyl isocyanate chloride, N-carbonylsulphamoyl chloride, SCHEMBL17487, Isocyanatidosulfuryl chloride #, Chlorosulfonyl isocyanate, 98%, BBL027786, SBB066079, STL372703, AKOS009028878, AT27290, FC07977, DB-041434, NS00002215, EN300-19010, N-(oxidanylidenemethylidene)sulfamoyl chloride, A804136, Q8214963, F0001-0303, Chlorosulfonyl isocyanate, Lonza quality, 99.0-100.3% (w/w) (T)

Application

Chlorosulfonyl isocyanate is primarily used as a key reagent in the synthesis of sulfonylurea herbicides and pharmaceutical intermediates. It facilitates the introduction of sulfamoyl and isocyanate groups in complex organic molecules, enabling the formation of heterocyclic scaffolds. This compound is also employed in the preparation of β-lactams and other nitrogen-containing heterocycles, which are critical in medicinal chemistry. Its reactivity makes it valuable for cross-coupling and cyclization reactions in advanced organic synthesis.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (15.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H330 (27.3%): Fatal if inhaled [Danger Acute toxicity, inhalation]
• H332 (15.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H334 (53.4%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]

Precautionary Statements

• P233, P260, P261, P264, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P342+P316, P362+P364, P363, P403, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Acute Tox. 4 (15.9%)
• Skin Corr. 1B (100%)
• Acute Tox. 2 (27.3%)
• Acute Tox. 4 (15.9%)
• Resp. Sens. 1 (53.4%)

If you are interested or have any questions, please contact us at support@atomfair.com

Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.