313-50-8

Basic information

• Product Name: Pentafluorobenzenesulfonicacid
• Synonyms: Pentafluorobenzenesulfonicacid
• CAS NO: 313-50-8
• Molecular Formula: C₆HF₅O₃S
• Molecular Weight: 248.127356
• EINECS: 275-943-6
• Mol File: 313-50-8.mol
• Article Data: 7

Chemical Properties

• Appearance: /
• Density: 1.862g/cm³
• Refractive Index: 1.477
• PKA: -2.20±0.50(Predicted)
• CAS DataBase Reference: Pentafluorobenzenesulfonicacid(CAS DataBase Reference)
• NIST Chemistry Reference: Pentafluorobenzenesulfonicacid(313-50-8)
• EPA Substance Registry System: Pentafluorobenzenesulfonicacid(313-50-8)

Safety Data

• Hazardous Substances Data: 313-50-8(Hazardous Substances Data)

Usage

InChI:InChI=1/C6HF5O3S/c7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9/h(H,12,13,14)

Upstream product

• 363-72-4 Pentafluorobenzene 
• 115095-87-9 2-adamantyl pentafluorobenzenesulfonate 
• 7664-93-9 sulfuric acid 
• 7446-11-9 sulfur trioxide 
• 1494-06-0 bis(pentafluorophenyl) disulfide 
• 771-62-0 pentafluorophenylthiol 
• 832-53-1 pentafluorobenzenesulonyl chloride 

Downstream Products

• 4434-87-1 Methyl pentafluorobenzenesulfonate 
• 52209-10-6 2,3,4,5,6-Pentafluoro-benzenesulfonic acid ethyl ester 
• 119197-05-6 C₉H₉F₅O₃SSi 
• 882-96-2 potassium perfluorobenzenesulfonate 
• 632-45-1 pentafluoro-benzenesulfonic acid ; S-benzyl-thiuronium-salt 
• 1054554-27-6 silver pentafluorophenylsulphonate 
• 1054554-28-7 benzyl pentafluorobenzenesulfonate 
• 685-64-3 difluoromaleic acid 
• 392-47-2 monofluoro-oxaloacetate 
• 143585-44-8 (1R,2R)-N,N'-bis-(2,3,4,5,6-pentafluorobenzenesulfonyl)-cyclohexane-1,2-diamine 

Relevant articles and documents

Use of perfluoro groups in nucleophilic 18F-fluorination

Substrates with leaving groups that contained perfluoro moieties were investigated in labelling chemistry in order to exploit their properties to improve reactivity and purification. [18F](Fluoromethyl)benzene was used as the model target compound. Precursors containing perfluoroalkyl and perfluoroaryl sulfonate moieties were subjected to nucleophilic 18F-fluorination, and the impact of perfluoro groups on the substitution reaction and product purification was investigated. [ 18F]Fluoride interacted with perfluoroalkyl chains, precluding nucleophilic substitution. When perfluoroaryl groups were used, the substitution proceeded, and the separation of product was explored. The radiolabelled product was obtained in 32% analytical yield and the radiochemical purity was increased to approximately 77% using fluorous solid phase extraction purification. Copyright

SYNTHESIS OF [18F] FLUOROMETHYL BENZENE USING BENZYL PENTAFLUOROBENZENESULFONATE

The present invention discloses the reactivity of ponytail ( PT ) sulfonates as leaving groups in nucleophilic fluorination reactions. The results showed that using a pentafluorobenzenesulfonate precursor is a suitable leaving group for n. c. a. nucleophilic 18F-fluorination in synthesis of [18F]fluoromethyl benzene, wherein this is a suitable leaving group for 18F-labeling with moderate reactivity. The PT-precursor seems to be quite stable. In an attempt to purify the crude 18F-labeled product using fluorous solid phase extraction (F-SPE), the radio labeled impurities decreased significantly. This provides an opportunity for utilizing PT methodology in both simple and fast purification methods.

Studies of the Solvolysis of 2-Adamantyl Pentafluorobenzenesulfonate: A YPFBS Scale

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