1,4-Bis(pentafluorothio)perfluorobenzene

Base Information

• Chemical Name: 1,4-Bis(pentafluorothio)perfluorobenzene
• CAS No.: 1219501-60-6
• Molecular Formula: C6F14S2
• Molecular Weight: 402
• Hs Code.: 2930909899
• European Community (EC) Number: 815-193-4
• DSSTox Substance ID: DTXSID50694130
• Wikidata: Q82623113
• Mol file: 1219501-60-6.mol

Synonyms:1,4-Bis(pentafluorothio)perfluorobenzene;1219501-60-6;pentafluoro-[2,3,5,6-tetrafluoro-4-(pentafluoro-lambda6-sulfanyl)phenyl]-lambda6-sulfane;SCHEMBL1971003;DTXSID50694130;MFCD18071069;1,2,4,5-Tetrafluoro-3,6-bis(pentafluoro-lambda~6~-sulfanyl)benzene;1,4-Bis(pentafluorothio)-2,3,5,6-tetrafluorobenzene, 1,4-Bis(pentafluorosulphanyl)-2,3,5,6-tetrafluorobenzene

Chemical Property of 1,4-Bis(pentafluorothio)perfluorobenzene

Chemical Property:

• PSA: 50.60000
• LogP: 7.55780
• XLogP3: 8.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 0
• Exact Mass: 401.9217866
• Heavy Atom Count: 22
• Complexity: 410

Purity/Quality:

97% ^*data from raw suppliers

1,4-Bis(pentafluorothio)perfluorobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=C(C(=C(C(=C1S(F)(F)(F)(F)F)F)F)S(F)(F)(F)(F)F)F)F

Technology Process of 1,4-Bis(pentafluorothio)perfluorobenzene

There total 5 articles about 1,4-Bis(pentafluorothio)perfluorobenzene 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: 67.0%

2,3,5,6-tetrafluorophenyl-1,4-bis(sulfur chlorotetrafluoride) → 2,3,5,6-tetrafluorophenyl-1,4-bis(sulfur pentafluoride) (1219501-60-6)

Guidance literature:

With antimony pentafluoride; In Fluorinert FC-72; at 20 ℃;

DOI:10.3762/bjoc.8.53

Reference yield: 67.0%

→ 2,3,5,6-tetrafluorophenyl-1,4-bis(sulfur pentafluoride) (1219501-60-6)

Guidance literature:

Reference yield:

Hexafluorobenzene (392-56-3) → 2,3,5,6-tetrafluorophenyl-1,4-bis(sulfur pentafluoride) (1219501-60-6)

Guidance literature:

Multi-step reaction with 4 steps

1: diethyl ether / 48 h / 20 °C

2: aluminum (III) chloride / toluene / 72 h / 20 °C / Inert atmosphere

3: potassium fluoride; chlorine / acetonitrile / 20 °C / Cooling with ice

4: antimony pentafluoride / Fluorinert FC-72 / 20 °C

With aluminum (III) chloride; potassium fluoride; antimony pentafluoride; chlorine; In diethyl ether; Fluorinert FC-72; toluene; acetonitrile;

DOI:10.3762/bjoc.8.53

upstream raw materials:

Hexafluorobenzene

2,3,5,6-tetrafluorobenzene-1,4-dithiol

Refernces

• 1、 -. "PROCESSES FOR PREPARING POLY(PENTAFLUOROSULFANYL)AROMATIC COMPOUNDS". Page/Page column 32-34. . Retrieved 2010/04/25.