1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexane-1-sulphonyl chloride

Base Information

• Chemical Name: 1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexane-1-sulphonyl chloride
• CAS No.: 55591-23-6
• Molecular Formula: C6Cl F13 O2 S
• Molecular Weight: 418.563
• European Community (EC) Number: 259-717-4
• NSC Number: 292151
• UNII: 6PVN372CST
• DSSTox Substance ID: DTXSID10204138
• Nikkaji Number: J267.030E
• Wikidata: Q83077585
• Mol file: 55591-23-6.mol

Synonyms:55591-23-6;1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexane-1-sulphonyl chloride;perfluorohexylsulfonyl chloride;6PVN372CST;perfluorohexanesulfonyl chloride;1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonyl chloride;EINECS 259-717-4;NSC-292151;NSC292151;C6ClF13O2S;UNII-6PVN372CST;SCHEMBL1146134;C6-Cl-F13-O2-S;DTXSID10204138;NSC 292151;Tridecafluoro-1-hexanesulfonyl chloride;TRIDECAFLUOROHEXANE-1-SULFONYL CHLORIDE;EN300-736041;1-Hexanesulfonyl chloride, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-;1-Hexanesulphonyl chloride, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-

Chemical Property of 1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexane-1-sulphonyl chloride

Chemical Property:

• Vapor Pressure: 4.79mmHg at 25°C
• Boiling Point: 150.9°Cat760mmHg
• Flash Point: 45.1°C
• PSA: 42.52000
• Density: 1.811g/cm³
• LogP: 5.33210
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 5
• Exact Mass: 417.9099942
• Heavy Atom Count: 23
• Complexity: 556

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(C(C(F)(F)S(=O)(=O)Cl)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F

Technology Process of 1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexane-1-sulphonyl chloride

There total 5 articles about 1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexane-1-sulphonyl 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: 93.2%

n-perfluorohexyl iodide (355-43-1) + sulfur dioxide (7446-09-5,12143-17-8,89125-89-3) + chlorine (7782-50-5) → 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonyl chloride (55591-23-6)

Guidance literature:

With zinc; In water; dimethyl sulfoxide; 80°C, chlorination at 35°C;

Reference yield: 89.0%

n-perfluorohexyl iodide (355-43-1) → 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonyl chloride (55591-23-6)

Guidance literature:

In N,N-dimethyl-formamide; in presence of Co powder, 20-60°C;

Reference yield: 60.0%

(C6F13SO2)2Mg + chlorine (7782-50-5) → 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonyl chloride (55591-23-6)

Guidance literature:

In hydrogenchloride; oxidn., in a 5 % HCl soln.,;

DOI:10.1016/S0022-1139(00)82486-0

upstream raw materials:

1-iodo-2,2,3,3,4,4,5,5,5-nonafluorobutane

n-perfluorohexyl iodide

sulfur dioxide

chlorine

Downstream raw materials:

(tridecafluorohexyl)benzene

(E)-1-methyl-4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-octen-1-yl)benzene

8-Chloro-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-(p-tolyl)octane

o-bromo(tridecafluorohexyl)benzene

Refernces