2-Chloroethyl chloromethanesulfonate
Basic information
- CAS
41239-85-4- Standard SMILES
O=S(=O)(CCl)OCCCl- InChIKey
BYEULZSQJFKHIP-UHFFFAOYSA-N- Molecular formula
- C3H6Cl2O3S
- Average molar mass
- 193.05 g/mol
- Monoisotopic mass
- 191.9414706
Names & identifiers
- Preferred name
- 2-Chloroethyl chloromethanesulfonate
- IUPAC
- 2-chloroethyl chloromethanesulfonate
- English name
- 1-chloro-2-(chloromethylsulfonyloxy)ethane
- Molecular formula
- C3H6Cl2O3S
- Molecular weight
- 193.05
Names & synonyms
41239-85-42-chloroethyl chloromethanesulfonateNSC3158391-CHLORO-2-(CHLOROMETHYLSULFONYLOXY)ETHANECHEMBL280041SCHEMBL10629834DTXSID10317459NSC-315839Methanesulfonic acid, 1-chloro-, 2-chloroethyl ester
Database identifiers
- CAS
41239-85-4- PubChem CID
- 330091
- DTXSID
DTXSID10317459- ChEMBL
CHEMBL280041
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Boiling point
- 87 · 87-88 °C(Press: 0.1 Torr)
- Density
- 1.505 · 1.505±0.06 g/cm3(Predicted)
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Compound notes
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