4-Fluorobenzenesulfonamide

Base Information

• Chemical Name: 4-Fluorobenzenesulfonamide
• CAS No.: 402-46-0
• Molecular Formula: C6H6FNO2S
• Molecular Weight: 175.184
• Hs Code.: 29350090
• European Community (EC) Number: 206-946-2
• UNII: UWB1PR3UR6
• DSSTox Substance ID: DTXSID70193195
• Nikkaji Number: J41.367D
• Wikidata: Q27092928
• Metabolomics Workbench ID: 146414
• ChEMBL ID: CHEMBL1232673
• Mol file: 402-46-0.mol

Synonyms:4-FBSA;4-fluorobenzenesulfonamide

Chemical Property of 4-Fluorobenzenesulfonamide

Chemical Property:

• Vapor Pressure: 0.000705mmHg at 25°C
• Melting Point: 124-127 °C(lit.)
• Refractive Index: 1.554
• Boiling Point: 307.9 °C at 760 mmHg
• PKA: 10.00±0.10(Predicted)
• Flash Point: 140 °C
• PSA: 68.54000
• Density: 1.428 g/cm³
• LogP: 2.25420
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: It is soluble in water.
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 175.01032777
• Heavy Atom Count: 11
• Complexity: 213

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Fluorobenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T, Xi
• Hazard Codes: T,Xi
• Statements: 23/24/25-36/37/38
• Safety Statements: 26-36-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1F)S(=O)(=O)N
• Uses: 4-Fluorobenzenesulfonamide, is used to produce bis-(4-fluoro-benzenesulfonyl)-amine with 4-fluoro-benzenesulfonyl chloride at temperature of 55 - 60. This reaction will need reagent OH-. 4-Fluorobenzenesulfonamide may be used to synthesize 4-fluorophenylsulfonyldithiocarbimate potassium dihydrate and amino-substituted sulfanilamide derivatives.

Technology Process of 4-Fluorobenzenesulfonamide

There total 25 articles about 4-Fluorobenzenesulfonamide 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: 93.0%

N-(tert-butyl)-4-fluorobenzenesulfonamide (29083-05-4) → 4-fluorophenylsulphonamide (402-46-0)

Guidance literature:

With boron trichloride; In dichloromethane; at 20 ℃; for 0.5h;

DOI:10.1016/S0040-4039(03)01020-7

Reference yield: 88.0%

4-Fluorobenzenesulfonyl chloride (349-88-2) → 4-fluorophenylsulphonamide (402-46-0)

Guidance literature:

With ammonium hydroxide; ammonium carbonate; for 1h; Heating;

DOI:10.1002/jlac.199719970121

Reference yield: 80.0%

4-Fluorothiophenol (371-42-6) → 4-fluorophenylsulphonamide (402-46-0)

Guidance literature:

With tert.-butylhydroperoxide; ammonium hydroxide; iodine; In water; acetonitrile; at 100 ℃; for 16h;

DOI:10.1039/c6ob01301e

upstream raw materials:

4-Fluorobenzenesulfonyl chloride

allyltributylstanane

4-fluorobenzenesulfonyl azide

allytriphenyltin

Downstream raw materials:

4-(piperazin-1-yl)-benzenesulfonamide

N-(4-fluoro-benzenesulfonyl)-N'-propyl-urea

3-(p-fluorobenzenesulfonyl)-1-butylurea

4-(4-chlorophenoxy)benzenesulfonamide

Refernces

• 1、 Savicheva, Elizaveta A.,Seikowski, Jan,Kast, Jeannette I.,Grünig, Christoph R.,Belov, Vladimir N.,Hell, Stefan W.. "Fluorescence Assisted Capillary Electrophoresis of Glycans Enabled by the Negatively Charged Auxochromes in 1-Aminopyrenes". supporting information. p. 3720 - 3726. Retrieved 2020/12/22.
• 2、 Antonietti, Markus,Guldi, Dirk M.,Markushyna, Yevheniia,Savateev, Aleksandr,Schü?lbauer, Christoph M.,Ullrich, Tobias. "Chromoselective Synthesis of Sulfonyl Chlorides and Sulfonamides with Potassium Poly(heptazine imide) Photocatalyst". supporting information. p. 20543 - 20550. Retrieved 2021/08/12.