Calcium trifluoromethanesulfonate

Base Information

• Chemical Name: Calcium trifluoromethanesulfonate
• CAS No.: 55120-75-7
• Molecular Formula: C2CaF6O6S2
• Molecular Weight: 338.20
• Hs Code.: 29319090
• European Community (EC) Number: 415-540-6,628-642-2
• DSSTox Substance ID: DTXSID4069000
• Nikkaji Number: J1.884.129K
• Mol file: 55120-75-7.mol

Synonyms:Calcium trifluoromethanesulfonate;55120-75-7;Calcium triflate;Methanesulfonic acid, trifluoro-, calcium salt;calcium;trifluoromethanesulfonate;calcium trifluoromethanesulphonate;Calcium trifluoromethyl sulfonate;calcium ditrifluoromethanesulfonate;Calcium trifluoromethanesulfonate, 99.9% trace metals grade;Methanesulfonic acid, 1,1,1-trifluoro-, calcium salt (2:1);SaikosaponinA;Calcium trifluoromethanesulfonate, 99.9%;Calcium trifluoromethansulphonate;MFCD00143911;C2CaF6O6S2;CHF3O3S.1/2Ca;SCHEMBL505733;DTXSID4069000;calcium trifluoromethane sulfonate;PUQLFUHLKNBKQQ-UHFFFAOYSA-L;C-H-F3-O3-S.1/2Ca;AMY37818;calcium(II) trifluoromethanesulfonate;AKOS015898783;Bis(trifluoromethylsulfonyloxy) calcium;calcium tris(fluoranyl)methanesulfonate;GS-6850;FT-0689092;H10823;EN300-7538672;A830499

Chemical Property of Calcium trifluoromethanesulfonate

Chemical Property:

• Appearance/Colour: greyish powder
• Vapor Pressure: 1.14mmHg at 25°C
• Melting Point: 350 °C(lit.)
• Boiling Point: 162 °C at 760 mmHg
• PSA: 131.16000
• LogP: 2.26440
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: Soluble in water.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 0
• Exact Mass: 337.8666399
• Heavy Atom Count: 17
• Complexity: 145

Purity/Quality:

98%,99%, ^*data from raw suppliers

Calcium trifluoromethanesulfonate 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xn
• Hazard Codes: C,Xn
• Statements: 34-36/37/38-20/21/22
• Safety Statements: 26-27-36/37/39-45-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Ca+2]
• Uses: Calcium trifluoromethanesulfonate is used for aminolysis of epoxides.

Technology Process of Calcium trifluoromethanesulfonate

There total 4 articles about Calcium trifluoromethanesulfonate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

trifluorormethanesulfonic acid (1493-13-6) → calcium(II) trifluoromethanesulfonate (55120-75-7)

Guidance literature:

With calcium oxide; 1) H₂O, reflux, 4 h, 2) 200 deg C, 10^-5 Torr, 6 h;

DOI:10.1039/c39940002435

Reference yield: 98.0%

trifluorormethanesulfonic acid (1493-13-6) → calcium(II) trifluoromethanesulfonate (55120-75-7)

Guidance literature:

In ethanol; 20 min, rt; 2 h, reflux;

DOI:10.1246/bcsj.64.1792

Reference yield: 93.4%

trifluorormethanesulfonic acid (1493-13-6) + calcium carbonate → calcium(II) trifluoromethanesulfonate (55120-75-7)

Guidance literature:

In water;

DOI:10.1016/j.poly.2021.115044

upstream raw materials:

trifluorormethanesulfonic acid

Downstream raw materials:

PhenDC3

Refernces

• 1、 Thierer, Laura M.,Wang, Qiuran,Brooks, Sam H.,Cui, Peng,Qi, Jia,Gau, Michael R.,Manor, Brian C.,Carroll, Patrick J.,Tomson, Neil C.. "Pyridyldiimine macrocyclic ligands: Influences of template ion, linker length and imine substitution on ligand synthesis, structure and redox properties". supporting information. . Retrieved 2021/02/16.
• 2、 Frankland, Andrew D.,Hitchcock, Peter B.,Lappert, Michael F.,Lawless, Gerard A.. "A Novel High-yield Route to Organic Derivatives of Group 2 Metals; X-Ray Structure of 4(py)14>*py (OTf = OSO2CF3) and NMR Spectral Characterisation of (R = SiMe3)". . p. 2435 - 2436. Retrieved 2007/10/02.