1-Chloromethanesulfonyl chloride

CH2Cl2O2SCAS 3518-65-8148.99 g/mol

Open in Covalent MOL file
OSOClCl
Alkyl halide

Properties

Molecular formula
CH2Cl2O2S
Molar mass
148.99 g/mol
Exact mass
147.9153 Da
Density
1.638 g/mL (at 15 °C)
Boiling point
60 °C
logP
0.75Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, P501

Identifiers

CAS number
3518-65-8
SMILES
O=S(=O)(Cl)CCl
InChIKey
KQDDQXNVESLJNO-UHFFFAOYSA-N
InChI
InChI=1S/CH2Cl2O2S/c2-1-6(3,4)5/h1H2

Weigh it out

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Names and synonyms

4 names
  • Methanesulfonyl chloride, 1-chloro-
  • Methanesulfonyl chloride, chloro-
  • Chloromethanesulfonyl chloride
  • (Chloromethyl)sulfonyl chloride

Work with 1-Chloromethanesulfonyl 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

2-Chloroethanesulfonyl chloride1622-32-850 % similar 3-Chloropropanesulfonyl chloride1633-82-545 % similar 2,2,2-Trifluoroethanesulfonyl chloride1648-99-345 % similar Ethanesulfonyl chloride594-44-545 % similar Propanesulfonyl chloride10147-36-141 % similar Isobutanesulfonyl chloride35432-36-139 % similar Butanesulfonyl chloride2386-60-938 % similar 2-(Trimethylsilyl)ethane-1-sulfonyl chloride106018-85-336 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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