Methyl chlorosulphate
Properties
- Molecular formula
- CH3ClO3S
- Molar mass
- 130.54 g/mol
- Exact mass
- 129.9491 Da
- Density
- 1.492 g/mL (at 15 °C)
- Melting point
- −70 °C
- Boiling point
- 134 °C
- logP
- 0.12Crippen estimate
- Polar surface area
- 43.4 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 1
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
- H302 Harmful if swallowed100% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
- H332 Harmful if inhaled100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P403+P235, P405, P501
Identifiers
CAS number
812-01-1SMILES
COS(=O)(=O)ClInChIKey
KNVLCWQKYHCADB-UHFFFAOYSA-NInChI
InChI=1S/CH3ClO3S/c1-5-6(2,3)4/h1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- Chlorosulfuric acid, methyl ester
- Methyl chlorosulfate
- Methyl chlorosulfonate
- Chlorosulfonic acid, methyl ester
- [(Chlorosulfonyl)oxy]methane
Work with Methyl chlorosulphate
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
Disulfuryl chloride7791-27-750 % similar
Ethyl chlorosulfate625-01-443 % similar
Dimethyl sulfate77-78-142 % similar
Chloromethyl chlorosulfate49715-04-039 % similar
Methyl methanesulfonate66-27-338 % similar
Methyl fluorosulfonate421-20-536 % similar
Methyl ethanesulfonate1912-28-333 % similar
Methyl trifluoromethanesulfonate333-27-732 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds