chempirical

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

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]
InChIKey
UCJNCJZFRKZIHY-UHFFFAOYSA-N
InChI
InChI=1S/CHF3O3S.Ba/c2-1(3,4)8(5,6)7;/h(H,5,6,7);

Weigh it out

Type any one amount. The others follow from the molar mass.

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

Similar compounds

Yttrium triflate52093-30-880 % similar Lutetium(III) trifluoromethanesulfonate126857-69-071 % similar Indium(III) trifluoromethanesulfonate128008-30-071 % similar Erbium triflate139177-64-371 % similar Scandium(III) trifluoromethanesulfonate144026-79-971 % similar Silver trifluoromethanesulfonate2923-28-671 % similar Potassium trifluoromethanesulfonate2926-27-471 % similar Lithium triflate33454-82-971 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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