(trifluoromethanesulfonyloxy)cuprio trifluoromethanesulfonate

• ChemBase ID: 145457
• Molecular Formular: C2CuF6O6S2
• Molecular Mass: 361.6842192
• Monoisotopic Mass: 360.83364654
• SMILES: C(F)(F)(F)S(=O)(=O)O[Cu]OS(=O)(=O)C(F)(F)F
• Canonical SMILES: FC(S(=O)(=O)O[Cu]OS(=O)(=O)C(F)(F)F)(F)F
• InChI: InChI=1S/2CHF3O3S.Cu/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2
• InChIKey: SBTSVTLGWRLWOD-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: (trifluoromethanesulfonyloxy)cuprio trifluoromethanesulfonate
• IUPAC Traditional name: (trifluoromethanesulfonyloxy)cuprio trifluoromethanesulfonate
• Synonyms: Cu(OTf)2; Copper(II) triflate; Cupric trifluoromethanesulfonate; Trifluoromethanesulfonic acid copper(II) salt; Copper(II) trifluoromethanesulfonate; 三氟甲烷磺酸铜; 三氟甲磺酸 铜(II) 盐; 三氟甲磺酸铜; 三氟甲烷磺酸铜(II)

Database IDs

• CAS Number: 34946-82-2
• EC Number: 252-300-8
• MDL Number: MFCD00077492
• Beilstein Number: 4028198
• PubChem SID: 24882100; 24857124; 162239663
• PubChem CID: 11810555

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.6888
• LogD (pH = 7.4): 2.6888
• Log P: 2.6888
• Molar Refractivity: 31.535 cm^3
• Polarizability: 18.41333 Å^3
• Polar Surface Area: 86.74 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ≥300 °C

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3261 8/PG 2

Product Information

• Purity: ≥97.0% (RT); 98%
• Grade: purum
• Linear Formula: (CF3SO3)2Cu

DETAILS

Sigma Aldrich - 283673

Packaging
5, 25 g in glass bottle
Application
Catalyst for:
• Mannich condensation1
• Annulative amination2
• Friedel-Crafts reaction3
• Henry reaction4
• Hypervalent iodine reagent-mediated preparation of carbazoles5
• Intramolecular oxidative C-N bond formation for the synthesis of carbazoles6
Catalyzes the efficient addition of trimethylsilyl cyanide to carbonyl compounds.

Sigma Aldrich - 61249

Other Notes
Catalyst for oxidative coupling reactions7; catalyst for photocycloadditions8; dehydration of alcohols9
Application
Catalyst for:
• Mannich condensation1
• Annulative amination2
• Friedel-Crafts reaction3
• Henry reaction4
• Hypervalent iodine reagent-mediated preparation of carbazoles5
• Intramolecular oxidative C-N bond formation for the synthesis of carbazoles6