Barium bis(trifluoromethanesulfonate)

C2BaF6O6S2CAS 2794-60-7435.45 g/mol

Open in Covalent MOL file
O−SOOFFFO−SOOFFFBa2+
Alkyl halideSulfonic acid

Properties

Molecular formula
C2BaF6O6S2
Molar mass
435.45 g/mol
Exact mass
435.8093 Da
Melting point
above 300 °C (decomposes)
logP
0.01Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
2794-60-7
SMILES
[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F.[Ba+2]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

5 names
  • Methanesulfonic acid, 1,1,1-trifluoro-, barium salt (2:1)
  • Methanesulfonic acid, trifluoro-, barium salt
  • Barium trifluoromethanesulfonate
  • Barium triflate (Ba(CF3SO3)2)
  • Barium triflate

Work with Barium bis(trifluoromethanesulfonate)

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Triflic acid1493-13-6Free acid Lithium triflate33454-82-9Salt Zinc triflate54010-75-2Salt Copper(II) triflate34946-82-2Salt Silver trifluoromethanesulfonate2923-28-6Salt Scandium(III) trifluoromethanesulfonate144026-79-9Salt N-Fluoropyridinium triflate107263-95-6Salt 1-Butyl-3-methylimidazolium trifluoromethanesulfonate174899-66-2Salt 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate145022-44-2Salt Triphenylsulfonium triflate66003-78-9Salt Yttrium triflate52093-30-8Salt Diphenyliodonium triflate66003-76-7Salt

Similar compounds

Hafnium(IV) trifluoromethanesulfonate161337-67-371 % similar Bis(1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate99326-34-856 % similar Trifluoromethanesulfonyl chloride421-83-038 % similar Barite13462-86-736 % similar Barium sulfate7727-43-736 % similar Lithium nonafluorobutanesulfonate131651-65-534 % similar Potassium perfluorobutanesulfonate29420-49-334 % similar Potassium perfluorooctanesulfonate2795-39-333 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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