Basic information
- CAS
19721-74-5- Standard SMILES
O=S(=O)(C(Cl)CCl)C(Cl)CCl- InChIKey
QTJJOZORJHAYSE-UHFFFAOYSA-N- Molecular formula
- C4H6Cl4O2S
- Average molar mass
- 260 g/mol
- Monoisotopic mass
- 257.884261
Names & identifiers
- Preferred name
- 1,2-Dichloro-1-(1,2-dichloroethanesulfonyl)ethane
- IUPAC
- 1,2-dichloro-1-(1,2-dichloroethylsulfonyl)ethane
- English name
- Bis(1,2-dichloroethyl) sulfone
- Molecular formula
- C4H6Cl4O2S
- Molecular weight
- 259.97
Names & synonyms
19721-74-5DTXSID209414811,2-Dichloro-1-(1,2-dichloroethanesulfonyl)ethaneRefChem:1052240DTXCID901369911Bis(1,2-dichloroethyl)sulfoneBRN 1775329Bis(1,2-dichloroethyl) sulfoneSulfone, bis(1,2-dichloroethyl)1,2-dichloro-1-(1,2-dichloroethylsulfonyl)ethane3-01-00-02680 (Beilstein Handbook Reference)SCHEMBL27710354
Show more names
Sulfone, bis(1,2-dichloroethyl) (7CI,8CI)
Database identifiers
- CAS
19721-74-5- PubChem CID
- 89201
- DTXSID
DTXSID20941481- Nikkaji
- J48.687F
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Density
- 1.542 · 1.542 (estimate)
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 250 mg/kg AIHAAP 30,470,69
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
- Toxicity
- LD50 orl-rat: 250 mg/kg AIHAAP 30,470,69
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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