Sodium 4-fluorobenzenesulfinic acid

Base Information

• Chemical Name: Sodium 4-fluorobenzenesulfinic acid
• CAS No.: 824-80-6
• Molecular Formula: C6H4FNaO2S
• Molecular Weight: 182.151
• Hs Code.: 2930909090
• NSC Number: 131873
• Mol file: 824-80-6.mol

Synonyms:NSC131873;NSC-131873;SODIUM 4-FLUOROBENZENESULFINIC ACID

Chemical Property of Sodium 4-fluorobenzenesulfinic acid

Chemical Property:

• Vapor Pressure: 7.09E-05mmHg at 25°C
• Melting Point: >250 °C
• Boiling Point: 329.5 °C at 760 mmHg
• Flash Point: 153.1°C
• PSA: 77.80000
• LogP: 1.80080
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 182.98919802
• Heavy Atom Count: 11
• Complexity: 132

Purity/Quality:

99.9% ^*data from raw suppliers

4-Flurobenzenesulfinicacidsodiumsalt ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1F)S(=O)O.[Na+]

Technology Process of Sodium 4-fluorobenzenesulfinic acid

There total 9 articles about Sodium 4-fluorobenzenesulfinic acid 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: 99.0%

4-Fluorobenzenesulfonyl chloride (349-88-2) → sodium 4-fluorobenzenesulfinate (824-80-6)

Guidance literature:

With sodium hydrogencarbonate; sodium sulfite; In water; at 80 ℃; for 4h;

Reference yield: 86.0%

→ sodium 4-fluorobenzenesulfinate (824-80-6)

Guidance literature:

Reference yield: 74.0%

1-Bromo-4-fluorobenzene (460-00-4) → sodium 4-fluorobenzenesulfinate (824-80-6)

Guidance literature:

1-Bromo-4-fluorobenzene; With iodine; magnesium; In tetrahydrofuran; at 100 ℃; for 1h; Inert atmosphere; Microwave irradiation;

With 1,4-diazabicyclo [2.2.2] octane-1,4-diium-1,4-disulfinate; In tetrahydrofuran; at 0 ℃; for 3h; Inert atmosphere;

With sodium carbonate; In tetrahydrofuran; diethyl ether; water;

DOI:10.1016/j.tetlet.2015.12.073

upstream raw materials:

β-(Diisopropylamino)ethyl p-fluorobenzenethiosulfonate

4-Fluorobenzenesulfonyl chloride

Potassium p-Fluorobenzenethiosulfonic Acid

1-Bromo-4-fluorobenzene

Downstream raw materials:

4-Fluor-phenylsulfonylcyanid

C₇H₄FNO₂S₂

4-fluorobenzenesulfonyl fluoride

p-Fluorbenzolsulfinsaeurefluorid