Hexafluorothioacetone dimer
Basic information
- CAS
791-50-4- Standard SMILES
FC(F)(F)C1(C(F)(F)F)SC(C(F)(F)F)(C(F)(F)F)S1- InChIKey
QKKBOQYIHOYXKK-UHFFFAOYSA-N- Molecular formula
- C6F12S2
- Average molar mass
- 364.2 g/mol
- Monoisotopic mass
- 363.9249803
Names & identifiers
- Preferred name
- Hexafluorothioacetone dimer
- IUPAC
- 2,2,4,4-tetrakis(trifluoromethyl)-1,3-dithietane
- English name
- 2,2,4,4-tetrakis(trifluoromethyl)-1,3-dithietane
- Molecular formula
- C6F12S2
- Molecular weight
- 364.17
Names & synonyms
2,2,4,4-tetrakis(trifluoromethyl)-1,3-dithietane791-50-42,2,4,4-Tetra(trifluoromethyl)-1,3-dithiacyclobutaneHexafluorothioacetone dimertetrakis(trifluoromethyl)-1,3-dithietane1,3-Dithietane, 2,2,4,4-tetrakis(trifluoromethyl)-QCC36T3ZR9BRN 1257024AI3-61955NSC-3594671,3-DITHIACYCLOBUTANE, 2,2,4,4-TETRA(TRIFLUOROMETHYL)-DTXSID00229537
Show more names
2,2,4,4-Tetrakis(trifluoromethyl)-1,3-dithiacyclobutane
5-19-01-00089 (Beilstein Handbook Reference)NSC 359467RefChem:786103DTXCID50152028895-304-0C6F12S2NSC359467UNII-QCC36T3ZR9
Database identifiers
- CAS
791-50-4- PubChem CID
- 13098
- DTXSID
DTXSID00229537- UNII
- QCC36T3ZR9
- EC Number
- 895-304-0
- Nikkaji
- J87.563E
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 305
Physicochemical properties
- Melting point
- 22 · 22-23 °C
- Boiling point
- 110 · 110-111 °C
- Density
- 1.829 · 1.829±0.06 g/cm3(Predicted)
- FDA UNII
- 36 T3ZR9 · QCC36T3ZR9
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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]
P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 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 data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses2,2,4,4-Tetrakis(trifluoromethyl)-1,3-dithietane, can be used in the synthesis of vinyl ethers.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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