$l^{2}-tin(2+) ion ditrifluoromethanesulfonate

• ChemBase ID: 9816
• Molecular Formular: C2F6O6S2Sn
• Molecular Mass: 416.8392192
• Monoisotopic Mass: 417.80624304
• SMILES: [O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F.[Sn+2]
• Canonical SMILES: FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.[Sn+2]
• InChI: InChI=1S/2CHF3O3S.Sn/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2
• InChIKey: RBGLVWCAGPITBS-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: $l^{2}-tin(2+) ion ditrifluoromethanesulfonate; λ^2-tin(2+) ion ditrifluoromethanesulfonate
• IUPAC Traditional name: $l^{2}-tin(2+) ion ditriflate; λ^2-tin(2+) ion ditriflate
• Synonyms: Tin trifluoromethanesulfonate; Sn(OTf)2; Stannous trifluoromethanesulfonate; Tin(II) triflate; Tin(II) trifluoromethanesulfonate; 三氟甲烷磺酸锡(II); 三氟甲磺酸锡; 三氟甲烷磺酸锡

Database IDs

• CAS Number: 62086-04-8
• MDL Number: MFCD00191251
• PubChem SID: 160973123; 24890319; 24864209
• PubChem CID: 2776843

CALCULATED PROPERTIES

• Acid pKa: -3.4301212
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.2283616
• LogD (pH = 7.4): -1.2283617
• Log P: 1.1480371
• Molar Refractivity: 15.8602 cm^3
• Polarizability: 7.460577 Å^3
• Polar Surface Area: 57.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ≥300 °C(lit.)

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Corrosive (C)
• UN Number: 3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3261 8/PG 2

Product Information

• Purity: ≥97.0% (T); 90%; 97%
• Grade: purum
• Linear Formula: (CF3SO3)2Sn

DETAILS

Sigma Aldrich - 388122

Application
Mild Lewis acid used for stereoselective aldol and Michael reactions; [2,3]-Wittig and Ireland-Claisen rearrangements; Horner-Wadsworth-Emmons reactions; asymmetric [3 + 2] cycloaddition; ring opening reactions; and Friedel-Crafts Reactions
Packaging
1, 5 g in glass bottle

Sigma Aldrich - 96565

Application
Mild Lewis acid used for stereoselective aldol and Michael reactions; [2,3]-Wittig and Ireland-Claisen rearrangements; Horner-Wadsworth-Emmons reactions; asymmetric [3 + 2] cycloaddition; ring opening reactions; and Friedel-Crafts Reactions