bis(trifluoromethanesulfonyloxy)ytterbio trifluoromethanesulfonate hydrate

• ChemBase ID: 149869
• Molecular Formular: C3H2F9O10S3Yb
• Molecular Mass: 638.2766088
• Monoisotopic Mass: 638.80550024
• SMILES: C(F)(F)(F)S(=O)(=O)O[Yb](OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F.O
• Canonical SMILES: FC(S(=O)(=O)O[Yb](OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)(F)F.O
• InChI: InChI=1S/3CHF3O3S.H2O.Yb/c3*2-1(3,4)8(5,6)7;;/h3*(H,5,6,7);1H2;/q;;;;+3/p-3
• InChIKey: BUJKNFNMGRYZBV-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(trifluoromethanesulfonyloxy)ytterbio trifluoromethanesulfonate hydrate
• IUPAC Traditional name: bis(trifluoromethanesulfonyloxy)ytterbio trifluoromethanesulfonate hydrate
• Synonyms: Yb(OTf)3; Trifluoromethanesulfonic acid ytterbium salt; Ytterbium(III) triflate; Ytterbium(III) trifluoromethanesulfonate hydrate; 三氟甲磺酸 镱盐; 三氟甲磺酸镱; 三氟甲烷磺酸镱 水合物

Database IDs

• CAS Number: 252976-51-5
• MDL Number: MFCD03703499
• PubChem SID: 24865309; 162244031
• PubChem CID: 16212606

CALCULATED PROPERTIES

• Log P: 5.1582
• Molar Refractivity: 47.3025 cm^3
• Polarizability: 29.509367 Å^3
• Polar Surface Area: 130.11 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 5.1582
• LogD (pH = 7.4): 5.1582

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• 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
• RID/ADR: UN 3261 8/PG 2

Product Information

• Purity: ≥97.0% (KT)
• Grade: purum
• Compostion: Degree of hydration, 1-2; Yb, 25-28% (approx.)
• Impurities: ≤4% water
• Linear Formula: (CF3SO3)3Yb · xH2O

DETAILS

Sigma Aldrich - 405329

Packaging
5, 25 g in glass bottle
Application
Catalyzes the synthesis of deoxypenostatin A in a novel, stereoselective intramolecular Diels-Alder reaction.1

Sigma Aldrich - 95790

Other Notes
Lewis-acid catalyst used e.g. for aldol reactions with silyl enol ethers 1; Catalyst for Friedel-Crafts acylations 2; Catalyst for glycosidations 3; Catalyst for additions to epoxides 4