3,3,4,4-Tetrachlorotetrahydrothiophene 1,1-dioxide
Basic information
- CAS
3737-41-5- Standard SMILES
O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1- InChIKey
GCAXGCSCRRVVLF-UHFFFAOYSA-N- Molecular formula
- C4H4Cl4O2S
- Average molar mass
- 257.9 g/mol
- Monoisotopic mass
- 255.868611
Names & identifiers
- Preferred name
- 3,3,4,4-Tetrachlorotetrahydrothiophene 1,1-dioxide
- IUPAC
- 3,3,4,4-tetrachlorothiolane 1,1-dioxide
- English name
- 3,3,4,4-Tetrachlorotetrahydrothiophene 1,1-dioxide
- Molecular formula
- C4H4Cl4O2S
- Molecular weight
- 257.95
Names & synonyms
3,3,4,4-Tetrachlorotetrahydrothiophene 1,1-dioxide3737-41-5Nopcocide DS 649Caswell No. 833BDS 6493,3,4,4-tetrachlorothiolane 1,1-dioxideDAC 649DTXSID7041461CP 78601SJY4TJ4WC1EINECS 223-113-9EPA Pesticide Chemical Code 103101
Show more names
3,3,4,4-Tetrachlorosulfolane3,3,4,4-Terachloro sulfolane3,3,4,4-TETRACHLOROSULFOLANE,96.0%(GC)
Thiophene, 3,3,4,4-tetrachlorotetrahydro-, 1,1-dioxide3,3,4,4-Tetrachlorotetrahydrothiophene-1,1-dioxideTetrahydro-3,3,4,4-tetrachlorothiophene 1,1-dioxideThiophene, tetrahydro-3,3,4,4-tetrachloro-, 1,1-dioxideDTXCID5021461CP-786013,4-DICHLOROTETRAHYDROTHIOPHENE 1,1-DIOXIDE, CISTETRACHLOROTETRAHYDROTHIOPHENE 1,1-DIOXIDE, 3,3,4,4-
Database identifiers
- CAS
3737-41-5- PubChem CID
- 77328
- DTXSID
DTXSID7041461- ChEMBL
CHEMBL3185246- UNII
- SJY4TJ4WC1
- EC Number
- 223-113-9
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 240
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physicochemical properties
- Melting point
- 174 °C · 174 °C
- Boiling point
- 250.32 °C · 250.32°C (estimate)
- Density
- 1.79 · 1.79±0.1 g/cm3(Predicted)
- solubility
- soluble in Methanol
- form
- powder to crystal
- color
- White to Almost white
- Indirect Additives used in Food Contact Substances
- 3 · 3,3,4,4-TETRACHLOROTETRAHYDROTHIOPHENE 1,1-DIOXIDE
- FDA 21 CFR
- 176.3 · 176.300
- FDA UNII
- 4 TJ4WC1 · SJY4TJ4WC1
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, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, 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
Regulatory InformationChemical: Thiophene, 3,3,4,4-tetrachlorotetrahydro-, 1,1-dioxide
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- tsca
- TSCA listed
- rtecs
- XN0870000
- ridadr
- UN 2811 6.1/PG III
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H315-H301-H319
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationThiophene, 3,3,4,4-tetrachlorotetrahydro-, 1,1-dioxide: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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