5-Fluoro-2-nitrobenzene-1-sulfonyl chloride

Base Information

• Chemical Name: 5-Fluoro-2-nitrobenzene-1-sulfonyl chloride
• CAS No.: 82711-97-5
• Molecular Formula: C6H3ClFNO4S
• Molecular Weight: 239.6087232
• European Community (EC) Number: 836-976-7
• Nikkaji Number: J2.860.741E
• Mol file: 82711-97-5.mol

Synonyms:5-fluoro-2-nitrobenzene-1-sulfonyl chloride;82711-97-5;5-fluoro-2-nitrobenzenesulfonyl chloride;5-Fluoro-2-nitrophenylsulfonyl chloride;MFCD11858121;SCHEMBL1670193;ALKFOTRKZGCLFU-UHFFFAOYSA-N;CL9694;AKOS009829242;5-fluoro-2-nitro-benzenesulfonyl chloride;AS-46459;SY179642;5-fluoro-2-nitrobenzene-1-sulfonylchloride;CS-0160709;EN300-43690

Chemical Property of 5-Fluoro-2-nitrobenzene-1-sulfonyl chloride

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 238.9455346
• Heavy Atom Count: 14
• Complexity: 322

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)S(=O)(=O)Cl)[N+](=O)[O-]

Technology Process of 5-Fluoro-2-nitrobenzene-1-sulfonyl chloride

There total 3 articles about 5-Fluoro-2-nitrobenzene-1-sulfonyl 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: 50.0%

3-fluorobenzene-1-sulfonyl chloride (701-27-9) → 5-fluoro-2-nitrobenzenesulfonyl chloride (82711-97-5)

Guidance literature:

With sulfuric acid; nitric acid; at 5 - 20 ℃; for 6.5h;

DOI:10.1016/j.tet.2010.06.036

Reference yield:

5-fluoro-2-nitroaniline (2369-11-1) → 5-fluoro-2-nitrobenzenesulfonyl chloride (82711-97-5)

Guidance literature:

With hydrogenchloride; sulfur dioxide; copper dichloride; sodium nitrite; Yield given. Multistep reaction; 1.) H₂O, -5 deg C, 60 min; 2.) H₂O, AcOH, Rt, 10 min;

DOI:10.1002/hlca.19820650212

Reference yield:

N-(3-fluorophenyl)acetamide (351-28-0) → 5-fluoro-2-nitrobenzenesulfonyl chloride (82711-97-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) 98percent HNO₃; 2.) 96percent H₂SO₄ / 1.) AcOH, (Ac)2O, -10 deg C, then to Rt throgh 3 h; 2.) water, 100 deg C, 6 h

2: 1.) 36percent HCl, NaNO₂; 2.) CuCl₂, SO₂ / 1.) H₂O, -5 deg C, 60 min; 2.) H₂O, AcOH, Rt, 10 min

With hydrogenchloride; sulfuric acid; sulfur dioxide; nitric acid; copper dichloride; sodium nitrite;

DOI:10.1002/hlca.19820650212

upstream raw materials:

5-fluoro-2-nitroaniline

N-(3-fluorophenyl)acetamide

3-fluorobenzene-1-sulfonyl chloride

Downstream raw materials:

5-fluoro-2-nitrobenzenesulfonamide

2-amino-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-N-methylbenzenesulfonamide

5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-N-methyl-2-nitrobenzenesulfonamide

5-fluoro-N-methyl-2-nitrobenzenesulfonamide