1,2-Bis(2-chloroethylsulfonyl)ethane
Basic information
- CAS
3944-87-4- Standard SMILES
O=S(=O)(CCCl)CCS(=O)(=O)CCCl- InChIKey
FQMRVYDYXSOKHL-UHFFFAOYSA-N- Molecular formula
- C6H12Cl2O4S2
- Average molar mass
- 283.2 g/mol
- Monoisotopic mass
- 281.9554066
Names & identifiers
- Preferred name
- 1,2-Bis(2-chloroethylsulfonyl)ethane
- IUPAC
- 1,2-bis(2-chloroethylsulfonyl)ethane
- English name
- 1,2-Bis[(2-chloroethyl)sulfonyl]ethane
- Molecular formula
- C6H12Cl2O4S2
- Molecular weight
- 283.19
Names & synonyms
1,2-BIS(2-CHLOROETHYLSULFONYL)ETHANE3944-87-41,2-Bis((2-chloroethyl)sulfonyl)ethaneHSDB 2540Ethane, 1,2-bis((2-chloroethyl)sulfonyl)-NSC 78780BRN 1793331AI3-17985UNII-81J0R06560NSC-78780Ethane, 1,2-bis[(2-chloroethyl)sulfonyl]-DTXSID30192604
Show more names
4-01-00-02453 (Beilstein Handbook Reference)1,2-Bis[(2-chloroethyl)sulfonyl]ethane1,2-BIS((2-CHLOROETHYL)SULFONYL)ETHANE [HSDB]RefChem:71705DTXCID301150951,2Bis((2chloroethyl)sulfonyl)ethaneEthane, 1,2bis((2chloroethyl)sulfonyl)81J0R06560
Database identifiers
- CAS
3944-87-4- PubChem CID
- 19847
- DTXSID
DTXSID30192604- UNII
- 81J0R06560
- EC Number
- 103-031-9
- Nikkaji
- J83.977I
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 299
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Other Organic Compounds
Physicochemical properties
- Melting point
- 205 · 205-206 °C
- Boiling point
- 541.7 · 541.7±45.0 °C(Predicted)
- Density
- 1.471 · 1.471±0.06 g/cm3(Predicted)
- FDA UNII
- 81 J0R06560 · 81J0R06560
- Hazardous Substances Data
- 3944 · 3944-87-4(Hazardous Substances Data)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P233, P260, P264, P270, P271, P284, P301+P316, P304+P340, P321, P330, P342+P316, P403, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazards SummaryIntraperitoneal LDLo = 125 mg/kg; [RTECS]
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Hazardous Substances Data
- 3944-87-4(Hazardous Substances Data)
Chemistry & industry
Uses & manufacturing
UsesNot commercially produced in the US; [HSDB]
U.S. Exports
(1977) No Data
(1979) No Data
U.S. Imports
(1977) No Data
(1979) No Data
U.S. Production
(1977) NOT PRODUCED COMMERCIALLY IN US
(1979) NOT PRODUCED COMMERCIALLY IN US
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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