Ethanesulfonyl chloride
Properties
- Molecular formula
- C2H5ClO2S
- Molar mass
- 128.57 g/mol
- Exact mass
- 127.9699 Da
- Density
- 1.351 g/mL (at 24 °C)
- Boiling point
- 174 °C
- logP
- 0.57Crippen estimate
- Polar surface area
- 34.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H302 Harmful if swallowed96.6% of notifiers
- H310 Fatal in contact with skin81% of notifiers
- H312 Harmful in contact with skin13.8% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
- H330 Fatal if inhaled86.2% of notifiers
- H335 May cause respiratory irritation10.3% of notifiers
Aggregated from 58 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P262, P264, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P361+P364, P362+P364, P363, P403+P233, P405, P501
Identifiers
CAS number
594-44-5SMILES
CCS(=O)(=O)ClInChIKey
FRYHCSODNHYDPU-UHFFFAOYSA-NInChI
InChI=1S/C2H5ClO2S/c1-2-6(3,4)5/h2H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- Ethylsulfonyl chloride
- 1-Ethanesulfonyl chloride
- Ethylsulfuryl chloride
- NSC 8649
- Chloroethylsulfone
Work with Ethanesulfonyl chloride
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
Propanesulfonyl chloride10147-36-152 % similar
Butanesulfonyl chloride2386-60-948 % similar
1-Chloromethanesulfonyl chloride3518-65-845 % similar
1-Hexadecanesulfonyl chloride38775-38-144 % similar
1-Octanesulfonyl chloride7795-95-144 % similar
Isobutanesulfonyl chloride35432-36-143 % similar
Ethanesulfonic acid594-45-643 % similar
Ethyl sulfone597-35-342 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.