Pentafluorobenzenesulphenyl chloride

Base Information

• Chemical Name: Pentafluorobenzenesulphenyl chloride
• CAS No.: 27918-31-6
• Molecular Formula: C6Cl F5 S
• Molecular Weight: 234.577
• Hs Code.: 2930909090
• European Community (EC) Number: 248-727-4
• UNII: S7JC6SEH3Q
• DSSTox Substance ID: DTXSID30950589
• Nikkaji Number: J120.857H
• Wikidata: Q82928703
• Mol file: 27918-31-6.mol

Synonyms:27918-31-6;pentafluorobenzenesulfenyl chloride;Pentafluorobenzenesulphenyl chloride;pentafluorophenylsulfenyl chloride;S7JC6SEH3Q;(2,3,4,5,6-pentafluorophenyl) thiohypochlorite;Benzenesulfenyl chloride, pentafluoro-;PENTAFLUOROBENZENESULFENYLCHLORIDE;EINECS 248-727-4;1-(chlorosulfanyl)-2,3,4,5,6-pentafluorobenzene;C6ClF5S;UNII-S7JC6SEH3Q;C6-Cl-F5-S;perfluorophenyl hypochlorothioite;SCHEMBL1158080;DTXSID30950589;(CHLOROTHIO)PENTAFLUOROBENZENE;2,3,4,5,6-PENTAFLUOROBENZENESULFENYL CHLORIDE;2,3,4,5,6-PENTAFLUOROBENZENESULPHENYL CHLORIDE;BENZENESULFENYL CHLORIDE, 2,3,4,5,6-PENTAFLUORO-

Chemical Property of Pentafluorobenzenesulphenyl chloride

Chemical Property:

• Vapor Pressure: 0.284mmHg at 25°C
• Refractive Index: 1.498-1.5
• Boiling Point: 210.1°Cat760mmHg
• Flash Point: 80.9°C
• PSA: 25.30000
• Density: 1.68g/cm³
• LogP: 3.62800
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 233.9329397
• Heavy Atom Count: 13
• Complexity: 166

Purity/Quality:

99% ^*data from raw suppliers

PENTAFLUOROBENZENESULFENYL CHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=C(C(=C(C(=C1F)F)SCl)F)F)F

Technology Process of Pentafluorobenzenesulphenyl chloride

There total 16 articles about Pentafluorobenzenesulphenyl chloride 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: 98.0%

pentafluorophenylthiol (771-62-0) → pentafluorobenzenesulfenyl chloride (27918-31-6)

Guidance literature:

With sulfuryl dichloride; In dichloromethane; at 0 ℃;

Reference yield: 69.0%

pentafluorophenylthiol (771-62-0) → pentafluorobenzenesulfenyl chloride (27918-31-6) + bis(pentafluorophenyl) disulfide (1494-06-0)

Guidance literature:

With phosphorus pentachloride; at 100 ℃; for 5h;

DOI:10.1134/S1070428016020068

Reference yield: 41.0%

1-chloro-2,3,4,5,6-pentafluorobenzene (344-07-0) + sulfur (7704-34-9) → pentafluorobenzenesulfenyl chloride (27918-31-6)

Guidance literature:

With chlorine; copper; In tetrachloromethane; C6F5Cl is heated with Cu powder and sulfur in a bomb tube to 350°C (6 h), extrg. with ether, evapg., reacting with Cl2 in CCl4 at 0°C (6 h); distn.;

DOI:10.1055/s-1973-22310

upstream raw materials:

Lithium; 2,3,4,5,6-pentafluoro-benzenethiolate

pentafluorophenylthiol

pentafluorophenylmercaptoamine

sulfur dichloride

Downstream raw materials:

N-(2-Propyl)-N-p-toluolsulfonyl-pentafluorobenzolsulfenylamid

N-(2-Methoxy-1,1-dimethyl-ethyl)-4-methyl-N-pentafluorophenylsulfanyl-benzenesulfonamide

N-(1-Phenethyl)-N-p-toluolsulfonyl-pentafluorbenzolsulfenylamid

Acetic acid 1-pentafluorophenylsulfanylmethyl-allyl ester

Refernces

• 1、 Nikul'shin,Maksimov,Platonov. "Synthesis of chloropolyfluoroarenes from polyfluoroarenethiols and PCl5". . p. 200 - 205. Retrieved 2016/04/19.
• 2、 Yonova, Ivelina M.,Osborne, Charlotte A.,Morrissette, Naomi S.,Jarvo, Elizabeth R.. "Diaryl and heteroaryl sulfides: Synthesis via sulfenyl chlorides and evaluation as selective anti-breast-cancer agents". . p. 1947 - 1953. Retrieved 2014/04/03.