Pentafluorobenzenesulfonyl chloride

Base Information

• Chemical Name: Pentafluorobenzenesulfonyl chloride
• CAS No.: 832-53-1
• Molecular Formula: C6ClF5O2S
• Molecular Weight: 266.576
• Hs Code.: 29049090
• European Community (EC) Number: 212-620-0
• NSC Number: 96998
• UNII: 2P6FR9SY79
• DSSTox Substance ID: DTXSID50232213
• Nikkaji Number: J195.100I
• Wikidata: Q72499753
• Mol file: 832-53-1.mol

Synonyms:pentafluorobenzenesulfonyl chloride;PFBSC

Chemical Property of Pentafluorobenzenesulfonyl chloride

Chemical Property:

• Appearance/Colour: clear, colorless liquid
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: n20/D 1.479(lit.)
• Boiling Point: 210.5 °C at 760 mmHg
• Flash Point: 81.1 °C
• PSA: 42.52000
• Density: 1.811 g/cm³
• LogP: 3.39040
• Storage Temp.: Sealed in dry,Room Temperature
• Sensitive.: Moisture Sensitive
• Water Solubility.: Soluble in water (reacts slowly).
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 265.9227689
• Heavy Atom Count: 15
• Complexity: 315

Purity/Quality:

99% ^*data from raw suppliers

Pentafluorobenzenesulfonyl Chloride >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-37
• Safety Statements: 26-36/37/39-45-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=C(C(=C(C(=C1F)F)S(=O)(=O)Cl)F)F)F
• Uses: Pentafluorobenzenesulfonyl chloride is used as derivatizing reagent for simultaneous determination of fluoxetine and p-trifluoromethylphenol, an O-dealkylated metabolite of fluoxetine in human liver microsomes. It is also used for electrophore labeling of small tyrosyl peptides for their analysis by gas chromatography with electron-capture detection. It is also employed as derivatizing reagent for amphetamine in determination of amphetamine in human plasma samples using gas chromatography with electron-capture detection.

Technology Process of Pentafluorobenzenesulfonyl chloride

There total 7 articles about Pentafluorobenzenesulfonyl 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: 53.0%

Pentafluorobenzene (363-72-4) → pentafluorobenzenesulonyl chloride (832-53-1)

Guidance literature:

With chlorosulfonic acid; at 120 - 130 ℃; for 16h;

Reference yield: 52.0%

pentafluorophenylmagnesium chloride (879-06-1) → pentafluorobenzenesulonyl chloride (832-53-1)

Guidance literature:

With sulfuryl dichloride; In tetrahydrofuran; hexane; for 3h; Ambient temperature;

Reference yield: 47.0%

pentafluorobenzenesulfenyl chloride (27918-31-6) + dihydrogen peroxide (7722-84-1) → pentafluorobenzenesulonyl chloride (832-53-1)

Guidance literature:

In acetic acid; 80% H2O2, 0°C, 30 min;

upstream raw materials:

Pentafluorobenzene

pentafluorophenylmagnesium chloride

1-chloro-2,3,4,5,6-pentafluorobenzene

pentafluorobenzenesulfenyl chloride

Downstream raw materials:

Methyl pentafluorobenzenesulfonate

2,3,4,5,6-Pentafluoro-benzenesulfonic acid 2-chloro-ethyl ester

1,2:5,6-Di-O-isopropyliden-3-O-pentaflyl-α-D-glucofuranose

(E)-1,2,3,4,5-pentafluoro-6-styrylbenzene

Refernces

• 1、 -. "Polymer electrolyte and process for producing the same". . . Retrieved 2008/06/13.
• 2、 Horner, Leopold,Schmitt, Rolf-Erhard. "STUDIEN ZUM VORGANG DER WASSERSTOFFUEBERTRAGUNG.61. Chemische Reaktivitaet und Halbstufenpotential Vergleichende Versuche am Beispiel einiger Arylsulfonsaeurederivate". . p. 189 - 212. Retrieved 2007/10/02.