(trifluoromethanesulfonyloxy)manganio trifluoromethanesulfonate

• ChemBase ID: 143345
• Molecular Formular: C2F6MnO6S2
• Molecular Mass: 353.0762682
• Monoisotopic Mass: 352.84209414
• SMILES: C(F)(F)(F)S(=O)(=O)O[Mn]OS(=O)(=O)C(F)(F)F
• Canonical SMILES: FC(S(=O)(=O)O[Mn]OS(=O)(=O)C(F)(F)F)(F)F
• InChI: InChI=1S/2CHF3O3S.Mn/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2
• InChIKey: HEYNLDRKZOOEDN-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: (trifluoromethanesulfonyloxy)manganio trifluoromethanesulfonate
• IUPAC Traditional name: (trifluoromethanesulfonyloxy)manganio trifluoromethanesulfonate
• Synonyms: Manganese triflate; Manganese trifluoromethanesulfonate; Manganese bis(trifluoromethanesulfonate); 三氟甲烷磺酸锰; 三氟甲磺酸锰; 双(三氟甲磺酸)锰

Database IDs

• CAS Number: 55120-76-8
• MDL Number: MFCD17015267
• PubChem SID: 162237565
• PubChem CID: 71310933

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.9888
• LogD (pH = 7.4): 2.9888
• Log P: 2.9888
• Molar Refractivity: 31.535 cm^3
• Polarizability: 18.0594 Å^3
• Polar Surface Area: 86.74 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >400 °C

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 22-34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• RID/ADR: UN 3261 8/PG 2

Product Information

• Impurities: 5% metallic Mn
• Empirical Formula (Hill Notation): C2F6MnO6S2

DETAILS

Sigma Aldrich - 715301

Packaging
1 g in glass bottle
Application
Catalyst for:
• Biginelli reactions1
• Methanolysis2