hafnium(4+) ion tetratrifluoromethanesulfonate

• ChemBase ID: 295026
• Molecular Formular: C4F12HfO12S4
• Molecular Mass: 774.7664384
• Monoisotopic Mass: 775.75464808
• SMILES: C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Hf+4]
• Canonical SMILES: FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.[Hf+4]
• InChI: InChI=1S/4CHF3O3S.Hf/c4*2-1(3,4)8(5,6)7;/h4*(H,5,6,7);/q;;;;+4/p-4
• InChIKey: BQYMOILRPDTPPJ-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: hafnium(4+) ion tetratrifluoromethanesulfonate
• IUPAC Traditional name: hafnium(4+) ion tetratriflate
• Synonyms: Hafnium triflate; Trifluoromethanesulfonic acid hafnium salt; Hafnium trifluoromethanesulfonate; 三氟甲磺酸铪

Database IDs

• CAS Number: 161337-67-3
• MDL Number: MFCD01321255
• PubChem SID: 180680557
• PubChem CID: 9853707

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: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: >350°C

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%

REFERENCES

• Lewis acid catalyst introduced by Kobayashi, effective at low concentrations under mild conditions in Friedel-Crafts acylation and alkylation reactions: Bull. Chem. Soc. Jpn.,68, 2053 (1995). Efficient catalyst for the Fries rearrangement of phenolic esters to acylphenols: Tetrahedron Lett., 37, 2053 (1996); Bull. Chem. Soc. Jpn., 70, 267 (1997). Superior to lanthanide triflates as catalyst for atom-economic aromatic nitration with a stoichiometric amount of nitric acid in DCM, avoiding the use of sulfuric acid: Tetrahedron Lett., 39, 1641 (1198); Synlett, 57 (2000). Efficient catalyst for allylations of imines with Allyltri-n-butyltin, L14087, and of Mannich-type reactions of imines with silyl enol ethers: Synlett, 1099 (1997). For use in combination with a catalytic amount of triflic acid for the Friedel-Crafts acylation of aromatics, see: Tetrahedron Lett., 39, 4697 (1998). For use in the catalytic decarboxylative ?-selective glycosylation via a mixed glycosyl carbonate, see: Synlett, 959 (2004). Catalyzes the conjugate addition of indoles to ɑ?-enones: Synlett, 2492 (2005).