Disulfide, bis(2-chloroethyl)
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Basic information
- CAS
1002-41-1- Standard SMILES
ClCCSSCCCl- InChIKey
XDFZUXHZXUFQOS-UHFFFAOYSA-N- Molecular formula
- C4H8Cl2S2
- Average molar mass
- 191.1 g/mol
- Monoisotopic mass
- 189.944448
Names & identifiers
- Preferred name
- Disulfide, bis(2-chloroethyl)
- IUPAC
- 1-chloro-2-(2-chloroethyldisulfanyl)ethane
- English name
- BIS(2-CHLOROETHYL)DISULPHIDE
- Molecular formula
- C4H8Cl2S2
- Molecular weight
- 191.14
Names & synonyms
1002-41-1Disulfide, bis(2-chloroethyl)Bis(2-chloroethyl) disulfideMustard disulfidebis(2-chloroethyl)disulfide1,6-Dichloro-3,4-dithiahexaneNSC 109762,2'-Dichloroethyl disulfideDTXSID40143006RefChem:135151DTXCID9065497XDFZUXHZXUFQOS-UHFFFAOYSA-N
Show more names
1,2-Bis(2-chloroethyl)disulfane1-chloro-2-(2-chloroethyldisulfanyl)ethane1-Chloro-2-[(2-chloroethyl)disulfanyl]ethaneBIS(2-CHLOROETHYL)DISULPHIDEWJ3GQ42HNYMFCD20621166NSC-10976C4H8Cl2S2
Database identifiers
- CAS
1002-41-1- PubChem CID
- 94964
- DTXSID
DTXSID40143006- UNII
- WJ3GQ42HNY
- EC Number
- 815-981-8
- Nikkaji
- J366.930K
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 37
Experimental & physicochemical properties
Kovats Retention Index
1336；1345；1336；1336.3；1336
1391.2；1391.2；1391；1339
2134.7
Physicochemical properties
- FDA UNII
- 3 GQ42HNY · WJ3GQ42HNY
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
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]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, 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
Hazard Classes and CategoriesAcute Tox. 3 (100%)；Eye Dam. 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
3 records
Compound notes
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