Basic information
- CAS
2794-60-7- Standard SMILES
O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ba+2]- InChIKey
DXJURUJRANOYMX-UHFFFAOYSA-L- Molecular formula
- C2BaF6O6S2
- Average molar mass
- 435.5 g/mol
- Monoisotopic mass
- 435.809296
Names & identifiers
- Preferred name
- Barium trifluoromethanesulphonate
- IUPAC
- barium(2+);bis(trifluoromethanesulfonate)
- English name
- Barium trifluoromethanesulfonate
- Molecular formula
- C2BaF6O6S2
- Molecular weight
- 435.47
Names & synonyms
Barium trifluoromethanesulfonate2794-60-7Barium trifluoromethanesulphonateMethanesulfonic acid, trifluoro-, barium saltEINECS 220-526-6DTXSID9062645RefChem:116563DTXCID3037751220-526-6Barium triflateMFCD00143644barium(2+);trifluoromethanesulfonate
Show more names
Ba(OTf)2Barium(II) TriflateTrifluoromethanesulfonic acid baTRIFLUOROMETHANESULFONIC ACID BARIUMBarium trifluoromethanesulfonate 98%Barium trifluoromethanesulfonate,98%
Methanesulfonic acid, 1,1,1-trifluoro-, barium salt (2:1)BARIUMTRIFLUOROMETHANESULFONATEbarium bis(trifluoromethanesulfonate)Trifluoromethanesulfonic acid barium saltC2BaF6O6S2SCHEMBL437396barium(2+),trifluoromethanesulfonateBarium(II) Trifluoromethanesulfonate
Database identifiers
- CAS
2794-60-7- PubChem CID
- 76040
- DTXSID
DTXSID9062645- EC Number
- 220-526-6
Properties
Computed structural properties
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- Melting point
- 300 °C · >300 °C(lit.)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- Powder
- color
- white
- Water Solubility
- Soluble in water.
- Sensitive
- Hygroscopic
- Hydrolytic Sensitivity
- 5 · 5: forms reversible hydrate
- BRN
- 3729346 · 3729346
- Exposure limits
- 0.5 mg/m3NIOSH: · ACGIH: TWA 0.5 mg/m3NIOSH: IDLH 50 mg/m3; TWA 0.5 mg/m3
- Stability
- hygroscopic
- InChI
- InChI=1S/2CHF3O3S.Ba/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2
- InChIKey
- DXJURUJRANOYMX-UHFFFAOYSA-L
- SMILES
- C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S([O-])(=O)=O.[Ba+2]
- EPA Substance Registry System
- Methanesulfonic acid, trifluoro-, barium salt (2794-60-7)
- UNSPSC Code
- 12352302 · 12352302
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
Warning
H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P301+P317, P304+P340, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.7%)
Safety data
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 1564 6.1/PG 3
- hs_code
- 29049020
- risk_code
- 20/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 28
- hazard_class
- 6.1
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- Hazard statements
- H302+H332
- Hazard Classifications
- Acute Tox. 4 InhalationAcute Tox. 4 Oral
- Precautionary statements
- P261-P264-P270-P271-P301+P312-P304+P340+P312
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationMethanesulfonic acid, 1,1,1-trifluoro-, barium salt (2:1): ACTIVE
Applications
UsesBa(CF3SO3) can be utilized as a precursor to synthesize: Alkali metal and silver trifluoromethanesulfonates. Sodium trifluoromethanesulfonate (sodium triflate) by reacting with sodium sulfate. Sodium triflate finds application in organic synthesis as an efficient catalyst as well as a reactant in catalytic asymmetric Mannich-type reactions, and Diels-Alder reactions.
Upstream & downstream products
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海铂之泉科技有限公司13681726990 13681726990 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
韶关高科祥高新材料有限公司
Related reactions
1 records
Compound notes
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