CID 16212704

Base Information

• Chemical Name: CID 16212704
• CAS No.: 2794-60-7
• Molecular Formula: C2BaF6O6S2
• Molecular Weight: 435.471
• Hs Code.: 29049020
• Mol file: 2794-60-7.mol

Synonyms:SCHEMBL2043781;UCJNCJZFRKZIHY-UHFFFAOYSA-N;CID 16212704

Chemical Property of CID 16212704

Chemical Property:

• Vapor Pressure: 1.14mmHg at 25°C
• Melting Point: >300 °C(lit.)
• Boiling Point: 162 °C at 760 mmHg
• PSA: 131.16000
• Density: 1.876 g/cm³
• LogP: 2.26440
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Hygroscopic
• Water Solubility.: Soluble in water.
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 287.865097
• Heavy Atom Count: 9
• Complexity: 158

Purity/Quality:

99%+, ^*data from raw suppliers

Barium trifluoromethanesulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/22
• Safety Statements: 28

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(F)(F)(F)S(=O)(=O)O.[Ba]
• Uses: Ba(CF3SO3) can be utilized as a precursor to synthesize: Alkali metal and silver trifluoromethanesulfonates. Sodium trifluoromethanesulfonate (sodium triflate) by reacting with sodium sulfate. Sodium triflate finds application in organic synthesis as an efficient catalyst as well as a reactant in catalytic asymmetric Mannich-type reactions, and Diels-Alder reactions.

Technology Process of CID 16212704

There total 5 articles about CID 16212704 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: 98.8%

trifluorormethanesulfonic acid (1493-13-6) + barium carbonate → barium trifluoromethanesulfonate (2794-60-7)

Guidance literature:

In water;

DOI:10.1016/j.poly.2021.115044

Reference yield: 98.0%

trifluorormethanesulfonic acid (1493-13-6) → barium trifluoromethanesulfonate (2794-60-7)

Guidance literature:

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

DOI:10.1039/c39940002435

Reference yield: 86.0%

barium hydroxide octahydrate + trifluorormethanesulfonic acid (1493-13-6) → barium trifluoromethanesulfonate (2794-60-7)

Guidance literature:

In water; for 20h;

DOI:10.1002/ejoc.201300386

upstream raw materials:

trifluorormethanesulfonic acid

Trifluoromethanesulfonyl fluoride

Downstream raw materials:

trimethylsilyl trifluoromethanesulfonate

methyl trifluoromethanesulfonate

trifluoromethyl trifluoromethanesulfonate

zinc trifluoromethanesulfonate

Refernces

• 1、 Fujinaga, T.,Sakamoto, I.. "-". . p. 235 - 246. Retrieved 1976.
• 2、 Lundberg, Daniel,Persson, Ingmar. "Structure of a Hydrated Sulfonatotitanyl(IV) Complex in Aqueous Solution and the Dimethylsulfoxide Solvated Titanyl(IV) Ion in Solution and Solid State". . p. 476 - 487. Retrieved 2017.
• 3、 Quast, Helmut,Seidenspinner, Hubert-Matthias,Stawitz, Josef Walter. "2,2′-Bis-azonia-cope rearrangements of 2,3-homo-6H-1,4-diazepinium dications". supporting information. p. 4852 - 4862. Retrieved 2013/08/23.