Scandium(III) trifluoromethanesulfonate

C3F9O9S3ScCAS 144026-79-9492.15 g/mol

Open in Covalent MOL file
O−SOOFFFO−SOOFFFO−SOOFFFSc3+
Alkyl halideSulfonic acid

Properties

Molecular formula
C3F9O9S3Sc
Molar mass
492.15 g/mol
Exact mass
491.8120 Da
Melting point
9 °C
logP
0.39Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
144026-79-9
SMILES
[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F.[Sc+3]
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.

Weigh it out

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Names and synonyms

10 names
  • Methanesulfonic acid, 1,1,1-trifluoro-, scandium(3+) salt (3:1)
  • Methanesulfonic acid, trifluoro-, scandium(3+) salt
  • Scandium triflate
  • Scandium tris(trifluoromethanesulfonate)
  • Scandium trifluoromethanesulfonate
  • Scandium(3+) triflate
  • Trifluoromethanesulfonic acid scandium(3+) salt
  • Scandium(III) triflate
  • Scandium triflate Sc(OTf)3
  • Sc(otf)3

Work with Scandium(III) 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 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 Erbium triflate139177-64-3Salt

Similar compounds

Hafnium(IV) trifluoromethanesulfonate161337-67-371 % similar Bis(1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate99326-34-856 % similar Trifluoromethanesulfonyl chloride421-83-038 % similar Bistriflimide82113-65-338 % similar Lithium nonafluorobutanesulfonate131651-65-534 % similar Potassium perfluorobutanesulfonate29420-49-334 % similar Potassium perfluorooctanesulfonate2795-39-333 % similar Trifluoromethanesulfonyl fluoride335-05-733 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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