yttrium(3+) ion tritrifluoromethanesulfonate

• ChemBase ID: 97352
• Molecular Formular: C3F9O9S3Y
• Molecular Mass: 536.1131788
• Monoisotopic Mass: 535.76192156
• SMILES: S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)(C(F)(F)F)[O-].S(=O)(=O)(C(F)(F)F)[O-].[Y+3]
• Canonical SMILES: FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.[Y+3]
• InChI: InChI=1S/3CHF3O3S.Y/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3
• InChIKey: JPJIEXKLJOWQQK-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: yttrium(3+) ion tritrifluoromethanesulfonate
• IUPAC Traditional name: yttrium(3+) ion tritriflate; yttrium(3+) tritriflate
• Synonyms: Trifluoromethanesulfonic acid yttrium(III) salt; Yttrium triflate; Yttrium(III) trifluoromethanesulfonate; Yttrium (III) trifluoromethanesulphonate; Yttrium(III) triflate; Yttrium(III) trifluoromethanesulfonate hydrate; 三氟甲烷磺酸钇; 三氟甲磺酸 钇(III) 盐; 三氟甲磺酸钇; 三氟甲烷磺酸钇(III)水合物

Database IDs

• CAS Number: 34629-25-9; 52093-30-8
• MDL Number: MFCD00209623
• PubChem SID: 24890204; 24866664; 162083962
• PubChem CID: 2733939

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

• Storage Warning: Irritant
• 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: ≥97.0% (KT); 98%
• Grade: purum
• Linear Formula: (CF3SO3)3Y

DETAILS

Sigma Aldrich - 425745

Packaging
5, 25 g in glass bottle
Application
Recently used to promote glycosidation of glycosyl fluorides1 and as a catalyst in the preparation of pyridine2 and quinoline2,3 derivatives.

Sigma Aldrich - 95840

Other Notes
Catalyst for the addition of enolates to epoxides1