Basic information
- CAS
5411-48-3- Standard SMILES
O=S(=O)(OCCCl)OCCCl- InChIKey
IFSGLNRHVHNLRK-UHFFFAOYSA-N- Molecular formula
- C4H8Cl2O4S
- Average molar mass
- 223.07 g/mol
- Monoisotopic mass
- 221.9520353
Names & identifiers
- Preferred name
- Ethanol, 2-chloro-, 1,1'-sulfate
- IUPAC
- bis(2-chloroethyl) sulfate
- English name
- bis(2-chloroethyl) sulphate
- Molecular formula
- C4H8Cl2O4S
- Molecular weight
- 223.07492
Names & synonyms
Bis(chloroethyl) sulfate5411-48-3Ethanol, 2-chloro-, sulfate (2:1)Ethanol, 2-chloro-, 1,1'-sulfateEINECS 226-490-8NSC 10975RefChem:138319Bis(2-chloroethyl) sulfateBis(2-chloroethyl) sulphate9GDQ3DDH57NSC-10975Bis(chloroethyl) sulphate
Show more names
Sulfuric acid bis(2-chloroethyl) ester
UNII-9GDQ3DDH57Ethanol, sulfate (2:1)Bis-(2-chlorethyl)-sulfatSCHEMBL1607820Bis(.beta.-chloroethyl) sulfateDTXSID80968997IFSGLNRHVHNLRK-UHFFFAOYSA-NNSC10975
Database identifiers
- CAS
5411-48-3- PubChem CID
- 79428
- DTXSID
DTXSID80968997- UNII
- 9GDQ3DDH57
- EC Number
- 226-490-8
- Nikkaji
- J150.156I
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- FDA UNII
- 9 GDQ3DDH57 · 9GDQ3DDH57
- EPA Substance Registry System
- 2 · Ethanol, 2-chloro-, sulfate (2:1) (5411-48-3)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanol, 2-chloro-, 1,1'-sulfate: INACTIVE
Suppliers1 total
安阳鸿蒙新材料有限公司19588588067 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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