erbium(3+) ion tritrifluoromethanesulfonate

• ChemBase ID: 148597
• Molecular Formular: C3ErF9O9S3
• Molecular Mass: 614.4663288
• Monoisotopic Mass: 612.78636656
• 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-].[Er+3]
• Canonical SMILES: FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.[Er+3]
• InChI: InChI=1S/3CHF3O3S.Er/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3
• InChIKey: GLQOFBCJADYRKR-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: erbium(3+) ion tritrifluoromethanesulfonate
• IUPAC Traditional name: erbium(3+) ion tritriflate
• Synonyms: Erbium(III) triflate; Trifluoromethanesulfonic acid erbium(III) salt; Erbium(III) trifluoromethanesulfonate; 三氟甲磺酸铒 铒(III) 盐; 三氟甲磺酸铒(III); 三氟甲基磺酸铒(III)

Database IDs

• CAS Number: 139177-64-3
• MDL Number: MFCD00192126
• PubChem SID: 24866656; 162242772
• PubChem CID: 11479047

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

Safety Information

• 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

• Purity: ≥97.0% (KT); 98%
• Grade: purum
• Linear Formula: (CF3SO3)3Er

DETAILS

Sigma Aldrich - 425672

Application
A water-tolerant Lewis acid used in the Aldol reaction of silyl enol ethers with aldehydes.1
Packaging
5, 25 g in glass bottle

Sigma Aldrich - 45415

Other Notes
Lewis acid catalyst which can be used in aqueous solution and easily recycled. Employed in aldol reactions of silyl enol ethers with aldehydes1; Triflate-catalyzed asymmetric Diels-Alder reaction2