Chlorosulfonyl isocyanate
ALDRICH/691399 - Arxada quality, 99.0-100.3 % (w/w) (T)
Synonym: N-Carbonylsulfamyl chloride; CSI
CAS Number: 1189-71-5
Empirical Formula (Hill Notation): CClNO3S
Molecular Weight: 141.53
EC Number: 214-715-2
MDL Number: MFCD00011608
Linear Formula: ClSO2NCO
Product Type: Chemical
| bp | 107 °C (lit.) |
| concentration | 99.0-100.3 % (w/w) (T) |
| density | 1.626 g/mL at 25 °C (lit.) |
| form | liquid |
| impurities | ≤1.00% chloropropylsulfonyl isocyanate |
| InChI | 1S/CClNO3S/c2-7(5,6)3-1-4 |
| InChI key | WRJWRGBVPUUDLA-UHFFFAOYSA |
| manufacturer/tradename | Arxada AG |
| mp | −44 °C (lit.) |
| quality | Arxada quality |
| refractive index | n |
| SMILES string | ClS(=O)(=O)N=C=O |
| vapor pressure | 5.57 psi ( 20 °C) |
| Application: | • Pharmaceutical intermediates: A study explored the synthesis and carbonic anhydrase inhibitory properties of sulfamides derived from Chlorosulfonyl isocyanate, demonstrating its potential in the development of new therapeutic agents, particularly for treating conditions involving carbonic anhydrase enzymes (Aksu et al., 2013   ).• Stereochemical synthesis applications: Chlorosulfonyl isocyanate was utilized for the stereoselective amination of chiral benzylic ethers in the total synthesis of (+)-sertraline, showcasing its critical role in the precise construction of complex pharmaceuticals (Lee et al., 2011 ).• One-pot synthetic transformations: The compound′s use in one-pot conversion of trimethylsilyl ethers into urethanes was highlighted, further applied to synthesize novel neuromodulators like carisbamate. This illustrates Chlorosulfonyl isocyanate′s versatility in facilitating efficient and innovative synthetic routes in medicinal chemistry (Dong et al., 2008 ). |
| Packaging: | 1 kg in PVC-coated bottle |
| Packaging: | 10 kg in composite drum |
| Symbol |    GHS05,GHS07,GHS08 |
| Signal word | Danger |
| Hazard statements | H302 - H314 - H317 - H334 |
| Precautionary statements | P261 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 |
| Hazard Codes | C |
| Risk Statements | 14-22-34-42 |
| Safety Statements | 23-26-30-36/37/39-45 |
| RIDADR | UN 3265 8 / PGII |
| WGK Germany | WGK 3 |
| Flash Point(F) | > 230.0 °F |
| Flash Point(C) | > 110 °C |
| Supplemental Hazard Statements | EUH014 |
| bp | 107 °C (lit.) |
| mp | −44 °C (lit.) |
| Density | 1.626 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |