(trifluoromethanesulfonyloxy)ferrio trifluoromethanesulfonate

• ChemBase ID: 143069
• Molecular Formular: C2F6FeO6S2
• Molecular Mass: 353.9832192
• Monoisotopic Mass: 353.83898654
• SMILES: C(F)(F)(F)S(=O)(=O)O[Fe]OS(=O)(=O)C(F)(F)F
• Canonical SMILES: FC(S(=O)(=O)O[Fe]OS(=O)(=O)C(F)(F)F)(F)F
• InChI: InChI=1S/2CHF3O3S.Fe/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2
• InChIKey: PGJLOGNVZGRMGX-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: (trifluoromethanesulfonyloxy)ferrio trifluoromethanesulfonate
• IUPAC Traditional name: (trifluoromethanesulfonyloxy)ferrio trifluoromethanesulfonate
• Synonyms: Iron(II) triflate; Iron(II) trifluoromethanesulfonate; 三氟甲磺酸亚铁; 三氟甲磺酸铁(II)

Database IDs

• CAS Number: 59163-91-6
• MDL Number: MFCD08460524
• PubChem SID: 162237292
• PubChem CID: 60145907

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.8388
• LogD (pH = 7.4): 3.8388
• Log P: 3.8388
• Molar Refractivity: 31.535 cm^3
• Polarizability: 18.147871 Å^3
• Polar Surface Area: 86.74 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >300 °C

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3260
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-27-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• RID/ADR: UN 3260 8/PG 2

Product Information

• Purity: ≥85%
• Empirical Formula (Hill Notation): C2F6FeO6S2

DETAILS

Sigma Aldrich - 698172

Packaging
5, 25 g in glass bottle