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Key Documents

515892

Sigma-Aldrich

Calcium trifluoromethanesulfonate

99.9%

Synonym(s):

Calcium triflate

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About This Item

Linear Formula:
(CF3SO3)2Ca
CAS Number:
Molecular Weight:
338.22
MDL number:
UNSPSC Code:
12352302
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

99.9%

mp

350 °C (lit.)

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

Related Categories

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.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2

Storage Class Code

13 - Non Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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