Sulfanilyl fluoride

Base Information

• Chemical Name: Sulfanilyl fluoride
• CAS No.: 98-62-4
• Molecular Formula: C6H6FNO2S
• Molecular Weight: 175.184
• Hs Code.: 2921499090
• European Community (EC) Number: 202-687-4
• NSC Number: 95411
• UNII: VQ58NDG0Q4
• DSSTox Substance ID: DTXSID4059176
• Nikkaji Number: J182.130J
• Wikidata: Q27291964
• Mol file: 98-62-4.mol

Synonyms:sulfanilyl fluoride

Chemical Property of Sulfanilyl fluoride

Chemical Property:

• Appearance/Colour: white or yellow-white solid.
• Vapor Pressure: 0.00302mmHg at 25°C
• Melting Point: 68-69°
• Refractive Index: 1.555
• Boiling Point: 284.2 °C at 760 mmHg
• Flash Point: 125.7 °C
• PSA: 68.54000
• Density: 1.43 g/cm³
• LogP: 2.58900
• XLogP3: 0.4
• 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:

97% ^*data from raw suppliers

SULFANILYL FLUORIDE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1N)S(=O)(=O)F
• Uses: In the preparation of dyes which pick up light readily.

Technology Process of Sulfanilyl fluoride

There total 6 articles about Sulfanilyl fluoride 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%

4-nitrobenzenesulfonyl fluoride (349-96-2) → 4-aminobenzenesulfonyl fluoride (98-62-4)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; In methanol; at 50 ℃; for 72h; Autoclave;

DOI:10.1021/acscombsci.8b00130

Reference yield: 73.0%

4-aminobenzenesulfonyl chloride (24939-24-0) → 4-aminobenzenesulfonyl fluoride (98-62-4)

Guidance literature:

With potassium hydrogen difluoride; In water; acetonitrile; at 20 ℃;

DOI:10.1039/c7ob02028g

Reference yield:

4-Nitrobenzenesulfonyl chloride (98-74-8) → 4-aminobenzenesulfonyl fluoride (98-62-4)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium fluoride; 18-crown-6 ether / acetonitrile / 24 h

2: palladium on carbon; hydrogen; acetic acid / ethyl acetate / 3 h

With potassium fluoride; 18-crown-6 ether; palladium on carbon; hydrogen; acetic acid; In ethyl acetate; acetonitrile;

DOI:10.1016/j.tet.2015.10.053

upstream raw materials:

4-nitrobenzenesulfonyl fluoride

4-acetamidobenzene-1-sulfonyl fluoride

p-acetylaminobenzenesulfonyl chloride

4-Nitrobenzenesulfonyl chloride

Downstream raw materials:

sulphapyridine

sulfamethylthiazole

4-isocyanatobenzenesulfonyl fluoride

sulfanilic acid methyl ester

Refernces

Photocyclization and photooxidation of 3-styrylthiophene

10.1016/S0040-4039(00)00097-6

The study focuses on the photocyclization and photooxidation processes of 3-styrylthiophene, a compound with two isomers: trans-3-styrylthiophene (1) and cis-3-styrylthiophene (2). The research investigates how these isomers react under different photochemical conditions, including in nonpolar and polar solvents, with and without sensitizers. The key findings include that cis-3-styrylthiophene (2) undergoes photochemical cis–trans isomerization and cyclization to form dihydronaphtho-[1,2-b]thiophene (3), with a higher quantum efficiency in nonpolar solvents. Dye-sensitized photooxidation of 3-styrylthiophene results in the production of benzaldehyde and 3-thiophenecarboxaldehyde, and the process is suggested to occur via a superoxide radical anion pathway rather than through singlet oxygen. Additionally, auto-photooxidation in the presence of oxygen leads to photocyclization, oxidation, and dimerization products. The study proposes that these reactions may involve the formation of a charge transfer complex between oxygen and the substrate. The research is significant for understanding the behavior of polythiophenes, which are important for the production of conductive polymers, and could contribute to improving the photostability of these materials.