λ4-cerium(4+) ion tetratrifluoromethanesulfonate

• ChemBase ID: 302638
• Molecular Formular: C4CeF12O12S4
• Molecular Mass: 736.3924384
• Monoisotopic Mass: 735.71353608
• 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-].[Ce+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.[Ce+4]
• InChI: InChI=1S/4CHF3O3S.Ce/c4*2-1(3,4)8(5,6)7;/h4*(H,5,6,7);/q;;;;+4/p-4
• InChIKey: BYAJTISDHIASIP-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^4-cerium(4+) ion tetratrifluoromethanesulfonate
• IUPAC Traditional name: λ^4-cerium(4+) ion tetratriflate
• Synonyms: Ceric triflate; Cerium(IV) triflate; Cerium(IV) trifluoromethanesulfonate; 三氟甲烷磺酸铈(IV)

Database IDs

• CAS Number: 107792-63-2
• EC Number: 000-000-0
• MDL Number: MFCD03844746

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

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

• Catalyst for high-yield deprotection of tert-butyldimethylsilyl ethers: Tetrahedron Lett., 43, 5945 (2002).
• The uses of rare-earth metal triflates in organic synthesis have been reviewed by S. Kobayashi: Synlett, 689 (1994); Chem. Rev., 102, 2227 (2002).