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Basic information
- CAS
428-76-2- Standard SMILES
O=S(=O)(CS(=O)(=O)C(F)(F)F)C(F)(F)F- InChIKey
QBOFWVRRMVGXIG-UHFFFAOYSA-N- Molecular formula
- C3H2F6O4S2
- Average molar mass
- 280.2 g/mol
- Monoisotopic mass
- 279.92986986
Names & identifiers
- Preferred name
- Bis(trifluoromethylsulphonyl)methane
- IUPAC
- trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane
- English name
- bis(trifluoromethylsulphonyl)methane
- Molecular formula
- C3H2F6O4S2
- Molecular weight
- 280.17
Names & synonyms
Bis(trifluoromethylsulphonyl)methaneBis[(trifluoromethyl)sulfonyl]methaneBis((trifluoromethyl)sulfonyl)methaneMethane, bis[(trifluoromethyl)sulfonyl]-EINECS 207-052-5Methane, bis((trifluoromethyl)sulfonyl)-DTXSID2059982RefChem:569314DTXCID1040164207-052-5428-76-2bis(trifluoromethanesulfonyl)methane
Show more names
bis(perfluoromethylsulfonyl)methaneBis(nonafluorobutylsulfonyl)methanetrifluoro(triflylmethylsulfonyl)methaneBis(trifluoromethanesulfonyl)methane 97%
bis(trifluoromethylsulfonyl)methanetrifluoro(trifluoromethylsulfonylmethylsulfonyl)methaneBis(trifluoromethanesulphonyl)methaneMFCD01861122Methane,bis[(trifluoromethyl)sulfonyl]-SCHEMBL65750AKOS032950022Bis(trifluoromethanesulfonyl)methane, 97%
Database identifiers
- CAS
428-76-2- PubChem CID
- 67931
- DTXSID
DTXSID2059982- UNII
- 9U2L8S7M9S
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 371
Physicochemical properties
- Melting point
- 32 · 32-36°C
- Boiling point
- 191 °C · 191 °C(Press: 745 Torr)
- Density
- 1.832 · 1.832±0.06 g/cm3(Predicted)
- Flash point
- 110 ℃ · >110℃
- storage temp.
- RT, stored under nitrogen
- form
- low melting solid
- Appearance
- 35 °C · Light yellow to brown 35°C Liquid
- InChI
- InChI=1S/C3H2F6O4S2/c4-2(5,6)14(10,11)1-15(12,13)3(7,8)9/h1H2
- InChIKey
- QBOFWVRRMVGXIG-UHFFFAOYSA-N
- SMILES
- C(S(C(F)(F)F)(=O)=O)S(C(F)(F)F)(=O)=O
- EPA Substance Registry System
- Methane, bis[(trifluoromethyl)sulfonyl]- (428-76-2)
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2930909899
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesA useful, solid, non-hygroscopic, nonoxidizing, soluble in organic solvents ligand for Lanthanide chemistry
Suppliers24 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
浦拉司科技（上海）有限责任公司21-58661250 18217085189 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
安阳鸿蒙新材料有限公司0372-19588588067 19588588067 · [email protected]
南通华祥医药科技有限公司+86-15716293042 15716293042 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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