tris(trifluoromethanesulfonyloxy)hafnio trifluoromethanesulfonate

• ChemBase ID: 97025
• Molecular Formular: C4F12HfO12S4
• Molecular Mass: 774.7664384
• Monoisotopic Mass: 775.75464808
• SMILES: [Hf](OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
• Canonical SMILES: FC(S(=O)(=O)O[Hf](OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)(F)F
• 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: tris(trifluoromethanesulfonyloxy)hafnio trifluoromethanesulfonate
• IUPAC Traditional name: tris(trifluoromethanesulfonyloxy)hafnio trifluoromethanesulfonate
• Synonyms: Hafnium triflate; Hafnium(IV) trifluoromethanesulphonate; Hf(OTf)4; Hafnium(IV) triflate; Hafnium(IV) trifluoromethanesulfonate hydrate; 三氟甲烷磺酸铪(IV); 三氟甲磺酸铪 水合物

Database IDs

• CAS Number: 161337-67-3
• MDL Number: MFCD01321255
• PubChem SID: 162083653; 24870553
• PubChem CID: 2782370

CALCULATED PROPERTIES

• H Acceptors: 8
• H Donor: 0
• LogD (pH = 5.5): 6.8776
• LogD (pH = 7.4): 6.8776
• Log P: 6.8776
• Molar Refractivity: 63.07 cm^3
• Polarizability: 37.14928 Å^3
• Polar Surface Area: 173.48 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: >350 °C(lit.); >350°C

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Linear Formula: (CF3SO3)4Hf

DETAILS

Sigma Aldrich - 469041

Application
Excellent and recyclable catalyst for the mononitration of o-nitrotoluene.8
Catalyst for:
• Homogeneous methoxycarbonylation and hydrocarboxylation reactions of phenylacetylene1
• Direct Friedel-Crafts reactions of chromene hemiacetals2
• Aminomethylation reactions under Lewis acidic conditions3
• Prins-type cyclization reactions4
• Direct polycondensation of lactic acid5
• Cationic benzylation reactions6
• Chemoselective thioacetalization and transthioacetalization of carbonyl compounds7
Packaging
1 g in glass bottle