Phenylsulfur pentafluoride

Base Information

• Chemical Name: Phenylsulfur pentafluoride
• CAS No.: 2557-81-5
• Molecular Formula: C6H5 F5 S
• Molecular Weight: 204.164
• Hs Code.: 2930909899
• European Community (EC) Number: 621-907-3
• DSSTox Substance ID: DTXSID90433126
• Nikkaji Number: J1.566.311A
• Wikipedia: Pentafluorosulfanylbenzene
• Wikidata: Q48996238
• Mol file: 2557-81-5.mol

Synonyms:Phenylsulfur pentafluoride;2557-81-5;Phenylsulfurpentafluoride;pentafluoro(phenyl)-lambda6-sulfane;pentafluorosulfanylbenzene;1-(pentafluorosulfanyl)benzene;Pentafluorothiobenzene;(Pentafluorothio)benzene;Ph-SF5;Pentafluorothio(VI)benzene;C6H5F5S;SCHEMBL943617;(pentafluoro-??-sulfanyl)benzene;DTXSID90433126;DMNYFEWFSFTYEL-UHFFFAOYSA-N;MFCD09263740;AKOS025310321;Sulfur,pentafluorophenyl-,(oc-6-21)-;BS-23829;CS-0450404;P1969;T72177;J-016057

Chemical Property of Phenylsulfur pentafluoride

Chemical Property:

• Melting Point: -10 °C
• Refractive Index: n20/D 1.435
• Boiling Point: 149 °C
• Flash Point: 43 °C
• PSA: 25.30000
• Density: 1.496 g/mL at 25 °C
• LogP: 4.34400
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 204.00321214
• Heavy Atom Count: 12
• Complexity: 173

Purity/Quality:

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

Phenylsulfur Pentafluoride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 10-22-36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Phenylsulfur pentafluoride

There total 33 articles about Phenylsulfur pentafluoride 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: 93.0%

trans-phenylsulfur chlorotetrafluoride (1063625-79-5,203126-16-3,203210-31-5) → pentafluorosulfanylbenzene (2557-81-5)

Guidance literature:

With pyridine; hydrogen fluoride; at 20 - 50 ℃; for 4h; Product distribution / selectivity;

Reference yield: 92.0%

phenyltetrafluoro-λ6-sulfanyl chloride (203126-16-3,203210-31-5,1063625-79-5) → pentafluorosulfanylbenzene (2557-81-5)

Guidance literature:

With zinc(II) fluoride; chlorine; at 120 ℃; Product distribution / selectivity;

Reference yield: 89.0%

trans-phenylsulrur chlorotetrafluoride → pentafluorosulfanylbenzene (2557-81-5)

Guidance literature:

With zinc(II) fluoride; water; at 100 ℃; for 1h; Product distribution / selectivity; Inert atmosphere;

upstream raw materials:

benzene

phenyltetrafluoro-λ⁶-sulfanyl chloride

diphenyldisulfane

C₆H₇Br₂F₅S

Downstream raw materials:

(3-bromophenyl)pentafluoro-λ⁶-sulfane

3-nitrophenylsulfur pentafluoride

2,2,6,6-tetramethyl-1-phenylpiperidine

Refernces

• 1、 Fetyukhin, Volodymyr N.,Guzyr, Olexandr I.,Kozel, Volodymyr N.,Rozhenko, Olexandr B.,Rusanov, Eduard B.,Shermolovich, Yuriy G.. "Enhanced preparation of aryl and heteryl sulfur pentafluorides using mercury (II) oxide - hydrogen fluoride media as a fluorinating reagent". . . Retrieved 2020/09/18.
• 2、 -. "Synthesis of 4-(pentafluorosulfanyl)benzenediazonium tetrafluoroborate and analogs and their application for the preparation of SF5-aromatics". Page/Page column 16; 31. . Retrieved 2016/02/05.