Chloromethyl chlorosulfate

CH₂Cl₂O₃SCAS 49715-04-0164.98 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: CH₂Cl₂O₃S
Molar mass: 164.98 g/mol
Exact mass: 163.9102 Da
Density: 1.63 g/mL
Boiling point: 153–155 °C (at 750 Torr)
logP: 0.68Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Danger

H272 May intensify fire; oxidizer71.9% of notifiers
H302 Harmful if swallowed96.5% of notifiers
H312 Harmful in contact with skin15.8% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage17.5% of notifiers
H330 Fatal if inhaled21.1% of notifiers
H350 May cause cancer17.5% of notifiers

Aggregated from 57 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P210, P220, P260, P264, P264+P265, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P320, P321, P330, P362+P364, P363, P370+P378, P403+P233, P405, P501

Identifiers

CAS number

49715-04-0

SMILES

O=S(=O)(Cl)OCCl

InChIKey

PJBIHXWYDMFGCV-UHFFFAOYSA-N

InChI

InChI=1S/CH2Cl2O3S/c2-1-6-7(3,4)5/h1H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

3 names

Chlorosulfuric acid, chloromethyl ester
Chloromethoxysulfonyl chloride
Chloromethyl sulfurochloridate

Work with Chloromethyl chlorosulfate

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl chlorosulfate625-01-452 % similar Disulfuryl chloride7791-27-745 % similar Methyl chlorosulphate812-01-139 % similar Bis(chloromethyl) ether542-88-130 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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