Basic information
- CAS
471-03-4- Standard SMILES
O=S(=O)(CCCl)CCCl- InChIKey
LUYAMNYBNTVQJG-UHFFFAOYSA-N- Molecular formula
- C4H8Cl2O2S
- Average molar mass
- 191.08 g/mol
- Monoisotopic mass
- 189.9622061
Names & identifiers
- Preferred name
- Bis(2-chloroethyl) sulfone
- IUPAC
- 1-chloro-2-(2-chloroethylsulfonyl)ethane
- English name
- Mustardsulphone
- Molecular formula
- C4H8Cl2O2S
- Molecular weight
- 191.08
Names & synonyms
Bis(2-chloroethyl) sulfoneMustard sulfone471-03-4Sulfone, bis(2-chloroethyl)1-chloro-2-(2-chloroethylsulfonyl)ethaneDZ4S6T48FYBRN 1759251AI3-16181NSC-26284DTXSID501970353-01-00-01388 (Beilstein Handbook Reference)1,1'-SULFONYLBIS(2-CHLOROETHANE)
Show more names
MustardsulphoneEthane, 1,1'-sulfonylbis[2-chloro-
RefChem:120075DTXCID601195261,1'-Sulfinylbis(2-chloroethane)1,1'-Sulfinylbis[2-chloroethane]Bis(.beta.-chloroethyl) sulfoxideBis(beta-chloroethyl) sulfoxideLUYAMNYBNTVQJG-UHFFFAOYSA-NMustard gas sulfoxide
Database identifiers
- CAS
471-03-4、5819-08-9- PubChem CID
- 10109
- DTXSID
DTXSID50197035- UNII
- DZ4S6T48FY
- EC Number
- 623-808-0
- Nikkaji
- J3.074K
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- Melting point
- 56 °C · 56°C
- Boiling point
- 340.8 · 340.8±27.0 °C(Predicted)
- Density
- 1.334 · 1.3340 (estimate)
- form
- solid
- color
- 2 O · Leaflets from H2O or EtOH
- Water Solubility
- 6 g/L · 6g/L(20 ºC)
- FDA UNII
- 4 S6T48FY · DZ4S6T48FY
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 312 · H312-H301
- Precautionary statements
- 280 · P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P310-P321-P330-P405-P501
- Toxicity
- 50 intravenous · LD50 intravenous in mouse: 50mg/kg
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]
P264, P270, P280, P301+P316, P302+P352, P317, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety & protection
Protective Action Criteria (PAC)
0.52 [mg/m3]
5.7 [mg/m3]
34 [mg/m3]
Safety data
- Toxicity
- LD50 intravenous in mouse: 50mg/kg
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H312-H301
- Precautionary statements
- P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P310-P321-P330-P405-P501
Related reactions
2 records
Compound notes
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