2-Nitrobenzenesulfonyl fluoride

Base Information

• Chemical Name: 2-Nitrobenzenesulfonyl fluoride
• CAS No.: 433-98-7
• Molecular Formula: C6H4 F N O4 S
• Molecular Weight: 205.166
• Hs Code.: 2904909090
• European Community (EC) Number: 207-094-4
• NSC Number: 119099
• UNII: C7WX6R7FE9
• DSSTox Substance ID: DTXSID50195819
• Nikkaji Number: J196.124A
• Wikidata: Q83068878
• Mol file: 433-98-7.mol

Synonyms:2-nitrobenzenesulfonyl fluoride;NBSF cpd

Chemical Property of 2-Nitrobenzenesulfonyl fluoride

Chemical Property:

• Vapor Pressure: 0.00143mmHg at 25°C
• Melting Point: 56-60°C
• Boiling Point: 306°Cat760mmHg
• Flash Point: 138.9°C
• PSA: 88.34000
• Density: 1.554g/cm³
• LogP: 2.85700
• Storage Temp.: 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 204.98450694
• Heavy Atom Count: 13
• Complexity: 291

Purity/Quality:

≥99.0% ^*data from raw suppliers

2-NitrobenzenesulfonylFluoride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)F

Technology Process of 2-Nitrobenzenesulfonyl fluoride

There total 7 articles about 2-Nitrobenzenesulfonyl 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: 98.0%

→ 2-nitrobenzene-1-sulfonyl fluoride (433-98-7)

Guidance literature:

With potassium hydrogen difluoride; In water; acetonitrile; at 20 ℃; for 3h;

Reference yield: 95.0%

2-nitrobenzenesulfonyl hydrazide (5906-99-0) → 2-nitrobenzene-1-sulfonyl fluoride (433-98-7)

Guidance literature:

With Selectfluor; In water; at 60 ℃; for 14h; Schlenk technique;

DOI:10.1039/c5gc02755a

Reference yield: 90.0%

2-Nitrobenzenesulfonyl chloride (1694-92-4) → 2-nitrobenzene-1-sulfonyl fluoride (433-98-7)

Guidance literature:

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

DOI:10.1039/c7ob02028g

upstream raw materials:

2-Nitrobenzenesulfonyl chloride

sodium 2-nitrobenzenesulfinate

2-nitrobenzenesulfonyl hydrazide

2-Nitrobenzenesulfonamide

Downstream raw materials:

2-(chlorosulfonyl)benzenesulfonyl fluoride

2-aminobenzenesulfonyl fluoride

Refernces

• 1、 Louvel, Dan,Chelagha, Aida,Rouillon, Jean,Payard, Pierre-Adrien,Khrouz, Lhoussain,Monnereau, Cyrille,Tlili, Anis. "Metal-Free Visible-Light Synthesis of Arylsulfonyl Fluorides: Scope and Mechanism". supporting information. p. 8704 - 8708. Retrieved 2021/05/17.
• 2、 Zheng, Qinheng,Woehl, Jordan L.,Kitamura, Seiya,Santos-Martins, Diogo,Smedley, Christopher J.,Li, Gencheng,Forli, Stefano,Moses, John E.,Wolan, Dennis W.,Barry Sharpless. "SuFEx-enabled, agnostic discovery of covalent inhibitors of human neutrophil elastase". . p. 18808 - 18814. Retrieved 2019/09/30.