3-FLUOROBENZENESULFONYL CHLORIDE

Base Information

• Chemical Name: 3-FLUOROBENZENESULFONYL CHLORIDE
• CAS No.: 701-27-9
• Molecular Formula: C6H4ClFO2S
• Molecular Weight: 194.614
• Hs Code.: 29049090
• European Community (EC) Number: 628-370-4
• DSSTox Substance ID: DTXSID00370179
• Nikkaji Number: J1.580.424F
• Wikidata: Q72479127
• Mol file: 701-27-9.mol

Synonyms:3-Fluorophenylsulfonyl chloride;3-Fluorobenzenesulfonyl chloride;Benzenesulfonylchloride, m-fluoro- (7CI,8CI);3-Fluorobenzene-1-sulfonyl chloride;

Chemical Property of 3-FLUOROBENZENESULFONYL CHLORIDE

Chemical Property:

• Appearance/Colour: clear colorless to yellow-orange liquid
• Vapor Pressure: 0.045mmHg at 25°C
• Melting Point: 7°C
• Refractive Index: n20/D 1.529(lit.)
• Boiling Point: 245.4 °C at 760 mmHg
• Flash Point: 102.2 °C
• PSA: 42.52000
• Density: 1.493 g/cm³
• LogP: 2.83400
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Moisture Sensitive
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 193.9604564
• Heavy Atom Count: 11
• Complexity: 221

Purity/Quality:

≥95% ^*data from raw suppliers

3-Fluorobenzenesulfonyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,Xi
• Statements: 34-29-14-36/37/38
• Safety Statements: 26-36/37/39-45-8-30-23-27

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)S(=O)(=O)Cl)F
• Uses: 3-Fluorobenzenesulfonyl chloride may be used in the preparation of 1-(2-bromobenzyl)-2-(3-fluorophenyl)pyrrole and 1-(2-bromobenzyl)-2,5-bis(3-fluorophenyl)pyrrole.

Technology Process of 3-FLUOROBENZENESULFONYL CHLORIDE

There total 7 articles about 3-FLUOROBENZENESULFONYL 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: 95.0%

3-fluorothiophenol (2557-77-9) → 3-fluorobenzene-1-sulfonyl chloride (701-27-9)

Guidance literature:

With Oxone; potassium chloride; In water; at 20 ℃; for 0.2h;

DOI:10.1039/c4gc00246f

Reference yield: 40.0%

meta-fluoroaniline (372-19-0) → 3-fluorobenzene-1-sulfonyl chloride (701-27-9)

Guidance literature:

meta-fluoroaniline; With hydrogenchloride; water; sodium nitrite;

With potassium chloride; sulfur dioxide; copper dichloride; In 1,4-dioxane; water; benzene; at 40 - 50 ℃; for 0.5h;

DOI:10.1135/cccc19991833

Reference yield: 33.0%

(3-fluorophenyl)trimethylsilane (7217-41-6) → 4-fluorobenzophenone (345-83-5) + 3-fluorobenzophenone (345-69-7) + 3-fluorobenzene-1-sulfonyl chloride (701-27-9)

Guidance literature:

With trimethylsilylsulfonyl chloride; In tetrachloromethane; for 16h; Heating;

DOI:10.1016/S0040-4020(01)81469-1

upstream raw materials:

(3-fluorophenyl)trimethylsilane

3-fluorothiophenol

meta-fluoroaniline

2-Fluoro-1,4-bis-trimethylsilanyl-benzene

Downstream raw materials:

4-[3-[5-[4-[(3-Fluorophenyl)sulfonyl]piperazin-1-yl]pentyl]-2,5-dihydro-4-methyl-2,5-dioxo-1H-pyrrol-1-yl]-2-(trifluoromethyl)benzonitrile

3-fluoro-N-(5-fluoro-3-methoxypyrazin-2-yl)-benzenesulfonamide

C₁₃H₈FN₃O₄S

(4-cyclobutyl-1,4-diazepan-1-yl)(7-(3-fluorophenylsulfonyl)-7-azaspiro[3.5]nonan-2-yl)methanone

Refernces

• 1、 Debergh, J. Robb,Niljianskul, Nootaree,Buchwald, Stephen L.. "Synthesis of aryl sulfonamides via palladium-catalyzed chlorosulfonylation of arylboronic acids". supporting information. p. 10638 - 10641. Retrieved 2013/08/23.
• 2、 -. "Polymer electrolyte and process for producing the same". . . Retrieved 2008/06/13.