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Merck

419087

Barium trifluoromethanesulfonate

98%

Synonym(s):

Barium triflate, Trifluoromethanesulfonic acid barium salt

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About This Item

Linear Formula:
(CF3SO3)2Ba
CAS Number:
2794-60-7
Molecular Weight:
435.47
UNSPSC Code:
12352302
NACRES:
NA.22
PubChem Substance ID:
24866091
EC Number:
220-526-6
Beilstein/REAXYS Number:
3729346
MDL number:
MFCD00143644
Assay:
98%

Key Documents

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Product Name

Barium trifluoromethanesulfonate, 98%

InChI key

DXJURUJRANOYMX-UHFFFAOYSA-L

InChI

1S/2CHF3O3S.Ba/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2

SMILES string

[Ba++].[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F

assay

98%

Quality Level

200

reaction suitability

core: barium

mp

>300 °C (lit.)

functional group

fluoro
triflate

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Application

Ba(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.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Inhalation - Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

wgk

WGK 1

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
0000258586
0000258586
0000158092
0000140607

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Sodium 1, 1, 1-Trifluoromethanesulfonate
Surya Prakash GK and Mathew T
Encyclopedia of Reagents for Organic Synthesis, Second Edition (2001)
Daniel Lundberg et al.
Physical chemistry chemical physics : PCCP, 20(21), 14525-14536 (2018-05-17)
The structures of the N,N-dimethylformamide (dmf), N,N-dimethylacetamide (dma), and N,N-dimethylpropionamide (dmp) solvated strontium and barium ions have been determined in solution using large angle X-ray scattering and EXAFS spectroscopy. The strontium ion has a mean coordination number (CN) between 6.2
Luka S Kovacevic et al.
Angewandte Chemie (International ed. in English), 51(34), 8516-8519 (2012-07-19)
Superelectrophiles: Formamides were designed that when treated with triflic anhydride would be transformed into superelectrophilic amidine dications. These dications were so electrophilic that they underwent in situ dealkylation by the triflate anion (see scheme; Tf = trifluoromethanesulfonyl). DFT calculations were
Yusuke Imazaki et al.
Journal of the American Chemical Society, 134(36), 14760-14763 (2012-08-25)
Aryl triflates were transformed to aryl bromides/iodides simply by treating them with LiBr/NaI and [Cp*Ru(MeCN)(3)]OTf. The ruthenium complex also catalyzed the transformation of alkenyl sulfonates and phosphates to alkenyl halides under mild conditions. Aryl and alkenyl triflates undergo oxidative addition
Akio Saito et al.
Molecules (Basel, Switzerland), 17(9), 11046-11055 (2012-09-15)
In the presence of trifluoromethanesulfonic acid (TfOH) or bis(trifluoromethane-sulfonyl)imide (Tf₂NH), iodosobenzene (PhI=O) efficiently promoted the reactions of dicarbonyl compounds as well as monocarbonyl compounds with nitriles to give 2,4-disubstituted and 2,4,5-trisubstituted oxazole in a single step under the mild conditions.
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