Chlorosulfonyl isocyanate
Properties
- Molecular formula
- CClNO3S
- Molar mass
- 141.52 g/mol
- Exact mass
- 140.9287 Da
- Density
- 1.626 g/mL (at 20 °C)
- Melting point
- −44 °C
- Boiling point
- 107 °C
- logP
- -0.19Crippen estimate
- Polar surface area
- 63.6 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 1
Hazards
Danger
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin15.9% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
- H330 Fatal if inhaled27.3% of notifiers
- H332 Harmful if inhaled15.9% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled53.4% of notifiers
Aggregated from 88 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
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, P501
Identifiers
CAS number
1189-71-5SMILES
O=C=NS(=O)(=O)ClInChIKey
WRJWRGBVPUUDLA-UHFFFAOYSA-NInChI
InChI=1S/CClNO3S/c2-7(5,6)3-1-4Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
11 names
- Sulfuryl chloride isocyanate
- Isocyanic acid, anhydride with chlorosulfonic acid
- Chlorosulfuric acid, anhydride with isocyanic acid
- Isocyanic acid, anhydride with chlorosulfuric acid
- N-Chlorosulfonyl isocyanate
- Chlorsulfonyl isocyanate
- CSI
- Sulfonyl chloride isocyanate
- Sulfurisocyanatidic chloride
- Chlorosulfonamide isocyanate
- [(Chlorosulfonyl)imino]methanone
Reactions
Work with Chlorosulfonyl isocyanate
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Benzenesulfonyl isocyanate2845-62-733 % similar
2-Chlorobenzenesulfonyl isocyanate64900-65-832 % similar
Methyl isocyanate624-83-932 % similar
P-Toluenesulfonyl isocyanate4083-64-130 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds