40630-63-5

Basic information

• Product Name: 1-octanesulphonyl fluoride
• Synonyms: 1-octanesulphonyl fluoride;OCTYLSULPHONYLFLUORIDE;OCTYLSULFONYLFLUORIDE;1-Octanesulfonic acid fluoride;1-Octanesulfonyl fluoride
• CAS NO: 40630-63-5
• Molecular Formula: C₈H₁₇FO₂S
• Molecular Weight: 196.2827832
• EINECS: 255-012-0
• Mol File: 40630-63-5.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 258.5°C at 760 mmHg
• Flash Point: 110.1°C
• Appearance: /
• Density: 1.049g/cm³
• Vapor Pressure: 0.0221mmHg at 25°C
• Refractive Index: 1.426
• CAS DataBase Reference: 1-octanesulphonyl fluoride(CAS DataBase Reference)
• NIST Chemistry Reference: 1-octanesulphonyl fluoride(40630-63-5)
• EPA Substance Registry System: 1-octanesulphonyl fluoride(40630-63-5)

Safety Data

• Hazardous Substances Data: 40630-63-5(Hazardous Substances Data)

Usage

Synthesis Reference(s)

Tetrahedron Letters, 16, p. 1429, 1975 DOI: 10.1016/S0040-4039(00)72160-5

Safety Profile

A mild skin and eye irritant.When heated to decomposition it emits toxic vapors ofSOx and Fí.

InChI:InChI=1/C8H17FO2S/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3

Upstream product

• 111-88-6 Octanethiol 
• 122-20-3 triisopropanolamine 
• 7795-95-1 octane-1-sulfonyl chloride 
• 1065131-41-0 n-octanesulfonyl hydrazide 
• 111-83-1 1-bromo-octane 

Downstream Products

• 42036-73-7 1-(non-1-enyl)benzene 
• 42036-73-7 1-((E)-non-1-enyl)benzene 
• 111735-48-9 (Z)-1-(non-1-enyl)benzene 
• 17763-87-0 Phloroglucin-tris(perfluoroctansulfonat) 
• 17763-74-5 Perfluoroctansulfonsaeure-3-m-tolylester 
• 17763-86-9 Perfluoroctansulfonsaeure-m-phenylendiester 
• 559-05-7 N-phenyl perfluorooctanesulfonamide 
• 17763-82-5 Perfluoroctansulfonsaeure-(2,4-diphenoxyphenyl)ester 
• 17763-85-8 Perfluoroctansulfonsaeure-o-phenylendiester 
• 17763-94-9 2,2'-Dihydroxy-4,4'-bis(perfluoroctylsulfonyloxy)benzophenon 
• 17763-72-3 Perfluoroctansulfonsaeure-4-methoxycarbonyl-phenylester 
• 17763-77-8 Perfluoroctansulfonsaeure-4-benzyloxyphenylester 
• 17763-76-7 Perfluoroctansulfonsaeure-4-phenoxyphenylester 
• 17763-93-8 Perfluoroctansulfonsaeure-3-hydroxy-4-benzoylphenylester 

Relevant articles and documents

One-pot fluorosulfurylation of Grignard reagents using sulfuryl fluoride

Herein, we report a new method for the one-pot syntheses of sulfonyl fluorides. Addition of an alkyl, aryl, or heteroaryl Grignard to a solution of sulfuryl fluoride at ambient temperature affords the desired sulfonyl fluorides in 18-78% yield. Furthermore, this method is applicable for in situ sequential reactions, whereby the Grignard reagent can be converted to the corresponding diarylsulfone, sulfonate ester, or sulfonamide in a one-pot process.

Catalyst-free radical fluorination of sulfonyl hydrazides in water

The first catalyst-free fluorination of sulfonyl hydrazides for the synthesis of sulfonyl fluorides has been developed via a free-radical pathway. This protocol presents a broad substrate scope and does not require any metal catalyst and additive. All these transformations proceed smoothly in water under mild conditions, which enables a straightforward, practical and environmentally benign fluorination for S-F bond formation.