515892

Calcium trifluoromethanesulfonate

99.9%

• Synonym(s): Calcium triflate
• Linear Formula: (CF₃SO₃)₂Ca
• CAS Number: 55120-75-7
• Molecular Weight: 338.22
• MDL number: MFCD00143911
• UNSPSC Code: 12352302
• PubChem Substance ID: 24873852
• NACRES: NA.22

Properties

• assay: 99.9%
• mp: 350 °C (lit.)
• functional group: fluoro; triflate
• SMILES string: [Ca++].[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F
• InChI: 1S/2CHF3O3S.Ca/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2
• InChI key: PUQLFUHLKNBKQQ-UHFFFAOYSA-L

Description

General description

Calcium trifluoromethanesulfonate, also known as calcium triflate [Ca(OTf)₂], is widely employed as a Lewis acid catalyst in organic synthesis. It facilitates a range of reactions, including the aldol reaction, Michael additions, and ring-opening reactions of epoxides. In addition, it is also used as a reagent for the preparation of trifluoromethanesulfonate esters, which can be used as leaving groups in a range of organic transformations.

Application

Calcium trifluoromethanesulfonate can be used as a catalyst to synthesize β-amino alcohols via aminolysis of epoxides. It is also used in the one-pot conversion of aldehydes to their corresponding nitrile compounds.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319
• pcodes: P264 - P280 - P302 + P352 - P305 + P351 + P338 - P332 + P313 - P337 + P313
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2
• Storage Class: 13 - Non Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges