aluminium(3+) ion tritrifluoromethanesulfonate

• ChemBase ID: 93637
• Molecular Formular: C3H3AlF9O9S3
• Molecular Mass: 477.2126868
• Monoisotopic Mass: 476.86108729
• SMILES: S(=O)(=O)(C(F)(F)F)[O-].S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)(C(F)(F)F)[O-].[AlH3+3]
• Canonical SMILES: FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.[AlH3+3]
• InChI: InChI=1S/3CHF3O3S.Al/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3
• InChIKey: FKOASGGZYSYPBI-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: aluminium(3+) ion tritrifluoromethanesulfonate
• IUPAC Traditional name: aluminium(3+) tritriflate; aluminium(3+) ion tritriflate
• Synonyms: Aluminium trifluoromethanesulphonate 99%; Trifluoromethanesulfonic acid aluminum salt; Aluminum tris(trifluoromethanesulfonate); Tris(trifluoromethanesulfonato)aluminum; Aluminum triflate; Aluminum trifluoromethanesulfonate; 三(三氟磺酸)铝; 三氟甲磺酸铝

Database IDs

• CAS Number: 74974-61-1
• MDL Number: MFCD00143596
• PubChem SID: 24873851; 162080322
• PubChem CID: 2737634

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: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: 300 °C(lit.); 300°C; ca 300°C

Safety Information

• Storage Warning: Corrosive/Hygroscopic; Hygroscopic
• European Hazard Symbols: Corrosive (C)
• UN Number: 3261; UN3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3; III
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P280-P303+P361+P353-P305+P351+P338-P310; 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: 99%; 99.9% trace metals basis
• Linear Formula: (CF3SO3)3Al

DETAILS

Sigma Aldrich - 515884

Packaging
10, 50 g in glass bottle

REFERENCES

• Catalyst for efficient, Chemoselective thioacetalization of carbonyl compounds, e.g. with 1,3-Propanedithiol, A15261: Synth. Commun., 33, 167 (2003).