Pentafluorophenyl trifluoromethanesulfonate

Base Information

• Chemical Name: Pentafluorophenyl trifluoromethanesulfonate
• CAS No.: 60129-85-3
• Molecular Formula: C7F8O3S
• Molecular Weight: 316.128
• Hs Code.: 2906299090
• European Community (EC) Number: 808-204-9
• DSSTox Substance ID: DTXSID10434670
• Nikkaji Number: J507.145C
• Wikidata: Q82249143
• Mol file: 60129-85-3.mol

Synonyms:pentafluorophenyl trifluoromethanesulfonate;60129-85-3;Pentafluorophenyl triflate;(2,3,4,5,6-pentafluorophenyl) trifluoromethanesulfonate;Perfluorophenyl trifluoromethanesulfonate;Trifluoromethanesulfonic Acid Pentafluorophenyl Ester;C7F8O3S;SCHEMBL775660;DTXSID10434670;OTTBRWDUQHDNBY-UHFFFAOYSA-N;BBL104042;MFCD07784319;STL557856;AKOS016015577;Perfluorophenyltrifluoromethanesulfonate;MS-20770;CS-0182179;P2188;T72685

Chemical Property of Pentafluorophenyl trifluoromethanesulfonate

Chemical Property:

• Vapor Pressure: 0.144mmHg at 25°C
• Refractive Index: 1.413
• Boiling Point: 223.375°C at 760 mmHg
• Flash Point: 88.895°C
• PSA: 51.75000
• Density: 1.839g/cm³
• LogP: 3.69130
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 2
• Exact Mass: 315.94404033
• Heavy Atom Count: 19
• Complexity: 401

Purity/Quality:

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

Pentafluorophenyl Trifluoromethanesulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=C(C(=C(C(=C1F)F)F)F)F)OS(=O)(=O)C(F)(F)F
• Uses: Pentafluorophenyl trifluoromethanesulfonate is a useful research chemical.

Technology Process of Pentafluorophenyl trifluoromethanesulfonate

There total 2 articles about Pentafluorophenyl 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: 73.0%

trifluoromethylsulfonic anhydride (358-23-6) + 2,3,4,5,6-pentafluorophenol (771-61-9) → Perfluorophenyl trifluoromethanesulfonate (60129-85-3)

Guidance literature:

With triethylamine; In dichloromethane; at -78 - 20 ℃; for 0.666667h;

DOI:10.1021/ja001511o

Reference yield:

→ Perfluorophenyl trifluoromethanesulfonate (60129-85-3)

Guidance literature:

Trifluormethan-sulfonylchlorid, Kalium-pentafluorphenolat;

DOI:10.1021/je60070a023

Reference yield: 95.0%

Perfluorophenyl trifluoromethanesulfonate (60129-85-3) + trimethylsilylacetylene (1066-54-2) → ((trimethylsilyl)ethynyl)pentafluorobenzene (52168-00-0)

Guidance literature:

With triethylamine; bis-triphenylphosphine-palladium(II) chloride; In N,N-dimethyl-formamide; at 80 ℃; for 9h; sealed glass tube;

upstream raw materials:

trifluoromethylsulfonic anhydride

2,3,4,5,6-pentafluorophenol

Downstream raw materials:

1-Perfluorophenylheptyne

1-pentafluorophenyl-2-phenylacetylene

1-Perfluorophenylhexyne

((trimethylsilyl)ethynyl)pentafluorobenzene