Thallium triflate

Base Information

• Chemical Name: Thallium triflate
• CAS No.: 73491-36-8
• Molecular Formula: CH F3 O3 S . Tl
• Molecular Weight: 353.453
• Hs Code.: 2904909090
• European Community (EC) Number: 688-541-4
• DSSTox Substance ID: DTXSID90452357
• Nikkaji Number: J1.218.368B
• Mol file: 73491-36-8.mol

Synonyms:73491-36-8;thallium triflate;Thallium(I) trifluoromethanesulfonate;thallium(1+);trifluoromethanesulfonate;Methanesulfonic acid,1,1,1-trifluoro-, thallium(1+) salt (1:1);Tl(OTf);SCHEMBL2398182;DTXSID90452357;MFCD00061608;AKOS015898843;AG-G-90691;Thallium(I) trifluoromethanesulfonate, 97%;FT-0713799

Chemical Property of Thallium triflate

Chemical Property:

• Appearance/Colour: white pwdr
• Vapor Pressure: 1.14mmHg at 25°C
• Melting Point: 245-250°C
• Boiling Point: 162oC at 760 mmHg
• PSA: 65.58000
• LogP: 1.13220
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 353.92645
• Heavy Atom Count: 9
• Complexity: 145

Purity/Quality:

99% ^*data from raw suppliers

Thallium(I) trifluoromethanesulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+,N
• Hazard Codes: T+,N
• Statements: 26/28-33-51/53-36/37/38-28-26
• Safety Statements: 13-28-45-61-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(F)(F)(F)S(=O)(=O)[O-].[Tl+]

Technology Process of Thallium triflate

There total 9 articles about Thallium triflate 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: 80.0%

thallium(I) 2,4-dinitrophenoxide (32707-04-3) + trifluoromethylsulfonic anhydride (358-23-6) → 2,4-dinitrophenyl trifluoromethanesulfonate (32578-27-1) + thallium(I) triflate (73491-36-8)

Guidance literature:

Reference yield: 80.0%

trifluoromethylsulfonic anhydride (358-23-6) + N-Hydroxysuccinimid-thallium(I)-Salz (34684-41-8) → N-(trifluoromethanesulfonyloxy)succinimide (34684-40-7) + thallium(I) triflate (73491-36-8)

Guidance literature:

Reference yield: 65.0%

thallium(I) carbonate + trifluorormethanesulfonic acid (1493-13-6) → thallium(I) triflate (73491-36-8)

Guidance literature:

In acetonitrile; byproducts: CO2; triflic acid was added to MeCN slurry of Tl salt with stirring; filtration, cooling, pptn. with Et2O, drying in vac.;

DOI:10.1021/ja00385a004

upstream raw materials:

trifluoromethylsulfonic anhydride

N-Methyl-N-thallium(I)-4-bromphenylsulfonamid

trifluorormethanesulfonic acid

thallium(I) 2,4-dinitrophenoxide

Downstream raw materials:

[Re2Br3(μ-dppm)2(CO)(CN-t-Bu)]O3SCF3

[Re₂Cl₃(dppm)2(CO)(2,6-dimethylphenyl isocyanide)]O₃SCF₃

[Re2Cl3(μ-dppm)2(CO)(NCPh)]O3SCF3

[Re2Cl3[μ-[(C6H5)2P]2CH2]2(CO)[η(2)-(CH3)CC(CH2CH3)]](CF3SO3)