2-Aminobenzenesulphonyl fluoride

Base Information

• Chemical Name: 2-Aminobenzenesulphonyl fluoride
• CAS No.: 392-86-9
• Molecular Formula: C6H6 F N O2 S
• Molecular Weight: 175.184
• Hs Code.: 2921499090
• European Community (EC) Number: 206-882-5
• NSC Number: 137841
• UNII: 83K4AZ4EUK
• DSSTox Substance ID: DTXSID50192449
• Nikkaji Number: J213.624D
• Wikidata: Q83065131
• Mol file: 392-86-9.mol

Synonyms:392-86-9;2-Aminobenzenesulphonyl fluoride;2-aminobenzenesulfonyl fluoride;2-aminobenzene-1-sulfonyl fluoride;83K4AZ4EUK;Benzenesulfonyl fluoride, 2-amino-;EINECS 206-882-5;NSC-137841;UNII-83K4AZ4EUK;aminobenzenesulfonyl fluoride;o-aminobenzenesulfonyl fluoride;SCHEMBL971158;2-(FLUOROSULFONYL)ANILINE;2-aminobenzene-1-sulfonylfluoride;DTXSID50192449;Benzenesulfonyl fluoride, o-amino-;2-Aminobenzenesulfonic acid fluoride;MFCD00007704;NSC137841;AKOS024333083;NSC 137841;VS-0014;2-AMINOBENZENE SULFONYL FLUORIDE;EN300-139851;F75954;Z1255485353

Chemical Property of 2-Aminobenzenesulphonyl fluoride

Chemical Property:

• Vapor Pressure: 0.00449mmHg at 25°C
• Boiling Point: 277.6°C at 760 mmHg
• Flash Point: 121.7°C
• PSA: 68.54000
• Density: 1.43g/cm³
• LogP: 2.58900
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 175.01032777
• Heavy Atom Count: 11
• Complexity: 221

Purity/Quality:

98%min ^*data from raw suppliers

2-aminobenzene-1-sulfonylfluoride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)N)S(=O)(=O)F

Technology Process of 2-Aminobenzenesulphonyl fluoride

There total 4 articles about 2-Aminobenzenesulphonyl 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: 40.0%

2-nitrobenzene-1-sulfonyl fluoride (433-98-7) → 2-aminobenzenesulfonyl fluoride (392-86-9)

Guidance literature:

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

DOI:10.1021/acscombsci.8b00130

Reference yield:

2-Nitrobenzenesulfonyl chloride (1694-92-4) → 2-aminobenzenesulfonyl fluoride (392-86-9)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium fluoride; triethylamine / water; dichloromethane / 4 h / 20 °C

2: hydrogen; 5%-palladium/activated carbon / methanol / 72 h / 50 °C / Autoclave

With potassium fluoride; 5%-palladium/activated carbon; hydrogen; triethylamine; In methanol; dichloromethane; water;

DOI:10.1021/acscombsci.8b00130

Reference yield:

2-amino-1-benzenesulfonic acid (88-21-1) → 2-aminobenzenesulfonyl fluoride (392-86-9)

Guidance literature:

With fluorosulphonic acid;

upstream raw materials:

2-amino-1-benzenesulfonic acid

2-nitrobenzene-1-sulfonyl fluoride

2-Nitrobenzenesulfonyl chloride

Downstream raw materials:

2-(chlorosulfonyl)benzenesulfonyl fluoride

Refernces