Benzenesulfonyl isocyanate
Properties
- Molecular formula
- C7H5NO3S
- Molar mass
- 183.18 g/mol
- Exact mass
- 182.9990 Da
- Boiling point
- 79–83 °C (at 0.7 Torr)
- logP
- 0.71Crippen estimate
- Polar surface area
- 63.6 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 2
Hazards
Danger
- H302 Harmful if swallowed97.7% of notifiers
- H315 Causes skin irritation100% of notifiers
- H317 May cause an allergic skin reaction88.6% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H331 Toxic if inhaled11.4% of notifiers
- H332 Harmful if inhaled88.6% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled100% of notifiers
- H335 May cause respiratory irritation11.4% of notifiers
Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501
Identifiers
CAS number
2845-62-7SMILES
O=C=NS(=O)(=O)c1ccccc1InChIKey
UJYAZVSPFMJCLW-UHFFFAOYSA-NInChI
InChI=1S/C7H5NO3S/c9-6-8-12(10,11)7-4-2-1-3-5-7/h1-5HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Benzenesulfonic acid, anhydride with isocyanic acid
- Sulfone, isocyanato phenyl
- Isocyanic acid, anhydride with benzenesulfonic acid
- Phenylsulfonyl isocyanate
- Phenylsulphonyl isocyanate
Work with Benzenesulfonyl isocyanate
Similar compounds
p-Toluenesulfonyl isocyanate4083-64-163 % similar
4-Chlorobenzenesulfonyl isocyanate5769-15-363 % similar
2-Toluenesulfonyl isocyanate32324-19-955 % similar
2-Chlorobenzenesulfonyl isocyanate64900-65-855 % similar
2-(Trifluoromethoxy)benzenesulfonyl isocyanate99722-81-346 % similar
Phenyl isocyanate103-71-941 % similar
Diphenyl sulfone127-63-941 % similar
Benzyl isocyanate3173-56-638 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds