holmium(3+) ion tritrifluoromethanesulfonate

• ChemBase ID: 147977
• Molecular Formular: C3F9HoO9S3
• Molecular Mass: 612.1376488
• Monoisotopic Mass: 611.78639556
• 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-].[Ho+3]
• Canonical SMILES: FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.[Ho+3]
• InChI: InChI=1S/3CHF3O3S.Ho/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3
• InChIKey: DBPDCYACEYLEMY-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: holmium(3+) ion tritrifluoromethanesulfonate
• IUPAC Traditional name: holmium(3+) ion tritriflate
• Synonyms: Holmium(III) triflate; Trifluoromethanesulfonic acid holmium(III) salt; Holmium(III) trifluoromethanesulfonate; Holmium(III) trifluoromethanesulfonate hydrate; 三氟甲烷磺酸钬(III); 三氟甲磺酸 钬(III) 盐; 三氟甲磺酸钬; 三氟甲烷磺酸钬(III)

Database IDs

• CAS Number: 139177-63-2
• MDL Number: MFCD00209590
• PubChem SID: 162242157; 24866658
• PubChem CID: 22482917

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: false

PROPERTIES

Physical Property

• Apperance: Powder

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%
• Linear Formula: (CF3SO3)3Ho

DETAILS

Sigma Aldrich - 425699

Application
A water-tolerant Lewis acid used in the Aldol reaction of silyl enol ethers with aldehydes.7
Catalyst for:
• Asymmetric alpha-amination1
• Diels-Alder reactions2
• Stereoselective cycloaddition reactions3
• Benzyl etherification4
• Acceleration of hydrogen-transfer reactions5
• Glycosylation6
Packaging
1 g in glass bottle

REFERENCES

• Used as a water tolerant Lewis Acid.Journal of Organic Chemistry,59, 3590-3596 (1994).