2-Fluorosulphonylbenzenesulphonyl chloride

Base Information

• Chemical Name: 2-Fluorosulphonylbenzenesulphonyl chloride
• CAS No.: 30672-70-9
• Molecular Formula: C6H4 Cl F O4 S2
• Molecular Weight: 258.679
• Hs Code.: 2904909090
• European Community (EC) Number: 250-277-9
• NSC Number: 137843
• DSSTox Substance ID: DTXSID80184711
• Nikkaji Number: J287.374E
• Wikidata: Q83055644
• Mol file: 30672-70-9.mol

Synonyms:30672-70-9;2-Fluorosulphonylbenzenesulphonyl chloride;2-(chlorosulfonyl)benzene-1-sulfonyl fluoride;2-chlorosulfonylbenzenesulfonyl fluoride;EINECS 250-277-9;2-fluorosulfonylbenzenesulfonyl chloride;2-(chlorosulfonyl)benzenesulfonyl fluoride;NSC137843;o-fluorosulfonylbenzenesulfonyl chloride;SCHEMBL6520866;DTXSID80184711;AKOS024333073;ES-2115;NSC 137843;NSC-137843;2-(chlorosulfonyl)benzene-1-sulfonylfluoride;CS-0134072;Benzenesulfonyl fluoride, 2-(chlorosulfonyl)-;EN300-141937;1,2-Benzenedisulfonic acid 1-fluoride 2-chloride;Z1269214209

Chemical Property of 2-Fluorosulphonylbenzenesulphonyl chloride

Chemical Property:

• Vapor Pressure: 7.22E-05mmHg at 25°C
• Boiling Point: 353.6°Cat760mmHg
• Flash Point: 167.7°C
• PSA: 85.04000
• Density: 1.649g/cm³
• LogP: 3.43390
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 257.9223568
• Heavy Atom Count: 14
• Complexity: 391

Purity/Quality:

99% ^*data from raw suppliers

O-FLUOROSULFONYLBENZENESULFONYL CHLORIDE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2-Fluorosulphonylbenzenesulphonyl chloride

There total 3 articles about 2-Fluorosulphonylbenzenesulphonyl 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: 60.0%

2-aminobenzenesulfonyl fluoride (392-86-9) → 2-(chlorosulfonyl)benzenesulfonyl fluoride (30672-70-9)

Guidance literature:

2-aminobenzenesulfonyl fluoride; With hydrogenchloride; sodium nitrite; In water; at -10 - 20 ℃; for 0.333333h;

With thionyl chloride; copper(l) chloride; In water; at -5 ℃; for 3h;

DOI:10.1021/acscombsci.8b00130

Reference yield:

2-nitrobenzene-1-sulfonyl fluoride (433-98-7) → 2-(chlorosulfonyl)benzenesulfonyl fluoride (30672-70-9)

Guidance literature:

Multi-step reaction with 2 steps

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

2.1: sodium nitrite; hydrogenchloride / water / 0.33 h / -10 - 20 °C

2.2: 3 h / -5 °C

With hydrogenchloride; 5%-palladium/activated carbon; hydrogen; sodium nitrite; In methanol; water; 2.2: |Sandmeyer Reaction;

DOI:10.1021/acscombsci.8b00130

Reference yield:

2-Nitrobenzenesulfonyl chloride (1694-92-4) → 2-(chlorosulfonyl)benzenesulfonyl fluoride (30672-70-9)

Guidance literature:

Multi-step reaction with 3 steps

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

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

3.1: sodium nitrite; hydrogenchloride / water / 0.33 h / -10 - 20 °C

3.2: 3 h / -5 °C

With hydrogenchloride; potassium fluoride; 5%-palladium/activated carbon; hydrogen; triethylamine; sodium nitrite; In methanol; dichloromethane; water; 3.2: |Sandmeyer Reaction;

DOI:10.1021/acscombsci.8b00130

upstream raw materials:

2-nitrobenzene-1-sulfonyl fluoride

2-Nitrobenzenesulfonyl chloride

2-aminobenzenesulfonyl fluoride

Refernces