magnesium(2+) ion ditrifluoromethanesulfonate

• ChemBase ID: 98050
• Molecular Formular: C2F6MgO6S2
• Molecular Mass: 322.4432192
• Monoisotopic Mass: 321.88909074
• SMILES: S(=O)(=O)(C(F)(F)F)[O-].[Mg+2].S(=O)(=O)(C(F)(F)F)[O-]
• Canonical SMILES: FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.[Mg+2]
• InChI: InChI=1S/2CHF3O3S.Mg/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2
• InChIKey: BZQRBEVTLZHKEA-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: magnesium(2+) ion ditrifluoromethanesulfonate
• IUPAC Traditional name: magnesium(2+) ion ditriflate; magnesium(2+) ditriflate
• Synonyms: Magnesium triflate; Trifluoromethanesulfonic acid magnesium salt; Magnesium trifluoromethanesulfonate; Magnesium trifluoromethanesulphonate 97%; 三氟甲基磺酸镁; 三氟甲基磺酸 镁盐; 三氟甲磺酸镁; 三氟甲烷磺酸镁

Database IDs

• CAS Number: 60871-83-2
• MDL Number: MFCD00042601
• Beilstein Number: 705578
• PubChem SID: 24860508; 24882423; 162084516
• PubChem CID: 2734125

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

• Apperance: Powder
• Melting Point: >300°C; >310°C; ≥300 °C(lit.)

Safety Information

• Storage Warning: Corrosive/Hygroscopic; Hygroscopic
• European Hazard Symbols: Corrosive (C)
• UN Number: 3261; UN1759
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3; III
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45; 26-36/37/39-45-60
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; 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 3

Product Information

• Purity: ≥97.0% (KT); 97%; 98%
• Grade: purum
• Linear Formula: (CF3SO3)2Mg

DETAILS

Sigma Aldrich - 337986

Packaging
5, 25 g in glass bottle

Sigma Aldrich - 63146

Other Notes
Soluble catalyst for thioacetalization1; Lewis acid used in a borane reduction of ketones2