Benzoyl Trifluoromethanesulfonate

Base Information

• Chemical Name: Benzoyl Trifluoromethanesulfonate
• CAS No.: 36967-85-8
• Molecular Formula: C8H5F3O4S
• Molecular Weight: 254.187
• Hs Code.: 2916399090
• European Community (EC) Number: 691-468-0
• DSSTox Substance ID: DTXSID30453949
• Nikkaji Number: J267.284G
• Wikidata: Q82275252
• Mol file: 36967-85-8.mol

Synonyms:Benzoyl Trifluoromethanesulfonate;36967-85-8;Benzoyl Triflate;Trifluoromethylsulfonyl Benzoate;Benzoic trifluoromethanesulfonic anhydride;TRIFLUOROMETHANESULFONYL BENZOATE;SCHEMBL6638516;Benzoyl=trifluoromethanesulfonate;DTXSID30453949;GEZVJNXOBFDIPM-UHFFFAOYSA-N;MFCD17013536;AKOS015853197;Benzoictrifluoromethanesulfonicanhydride;AS-69329;Benzoic trifluoromethylcarbothioic anhydride;Trifluoromethanesulfonic Acid Benzoyl Ester;B3567;CS-0209112;T70839

Chemical Property of Benzoyl Trifluoromethanesulfonate

Chemical Property:

• Boiling Point: 94°C/2.2mmHg(lit.)
• Flash Point: 114°C
• PSA: 68.82000
• Density: 1.542±0.06 g/cm3(Predicted)
• LogP: 2.77380
• Storage Temp.: <0°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 253.98606430
• Heavy Atom Count: 16
• Complexity: 349

Purity/Quality:

98% ^*data from raw suppliers

Benzoyl Trifluoromethanesulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)OS(=O)(=O)C(F)(F)F

Technology Process of Benzoyl Trifluoromethanesulfonate

There total 5 articles about Benzoyl 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: 90.0%

silver trifluoromethanesulfonate (2923-28-6) + benzoyl chloride (98-88-4) → benzoyl triflate (36967-85-8)

Guidance literature:

Reference yield: 90.0%

trifluorormethanesulfonic acid (1493-13-6) + benzoyl chloride (98-88-4) → benzoyl triflate (36967-85-8)

Guidance literature:

Reference yield:

silver trifluoromethanesulfonate (2923-28-6) + benzoic acid (65-85-0,8013-63-6) → benzoyl triflate (36967-85-8)

Guidance literature:

upstream raw materials:

silver trifluoromethanesulfonate

benzoyl chloride

trifluorormethanesulfonic acid

benzoic acid

Downstream raw materials:

cis-1,2-Dibenzoyloxycyclohexane

10-(benzoyloxy)-9-phenanthrenediazonium trifluoromethanesulfonate

2,5-dimethylbenzophenone

adamantan-1-yl benzoate