2,6-Dichloro-3-nitrobenzenesulfonic acid

Base Information

• Chemical Name: 2,6-Dichloro-3-nitrobenzenesulfonic acid
• CAS No.: 276702-52-4
• Molecular Formula: C6H3Cl2NO5S
• Molecular Weight: 272.066
• DSSTox Substance ID: DTXSID90591619
• Wikidata: Q82485426
• Mol file: 276702-52-4.mol

Synonyms:2,6-Dichloro-3-nitrobenzenesulfonic acid;276702-52-4;2,6-Dichloro-3-nitrobenzenesulfonicacid;2,6-Dichloro-3-nitrobenzene-1-sulfonic acid;SCHEMBL2768048;DTXSID90591619;AKOS016005348;DB-329674

Chemical Property of 2,6-Dichloro-3-nitrobenzenesulfonic acid

Chemical Property:

• PSA: 108.57000
• LogP: 3.75230
• Storage Temp.: 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 270.9108988
• Heavy Atom Count: 15
• Complexity: 348

Purity/Quality:

99% ^*data from raw suppliers

2,6-Dichloro-3-nitrobenzenesulfonic acid 95+% ^*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+](=O)[O-])Cl)S(=O)(=O)O)Cl

Technology Process of 2,6-Dichloro-3-nitrobenzenesulfonic acid

There total 4 articles about 2,6-Dichloro-3-nitrobenzenesulfonic acid 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: 99.0%

lithium hydroxide monohydrate + 2,6-dichlorobenzenesulfonyl chloride (6579-54-0) → 2,6-dichloro-3-nitrobenzenesulfonic acid (276702-52-4)

Guidance literature:

With nitric acid; In methanol; sulfuric acid;

Reference yield: 99.0%

→ 2,6-dichloro-3-nitrobenzenesulfonic acid (276702-52-4)

Guidance literature:

Reference yield:

2,6-dichlorobenzenesulfonyl chloride (6579-54-0) → 2,6-dichloro-3-nitrobenzenesulfonic acid (276702-52-4)

Guidance literature:

Multi-step reaction with 2 steps

1: LiOH / methanol

2: H₂SO₄; HNO₃

With lithium hydroxide; sulfuric acid; nitric acid; In methanol;

DOI:10.1016/j.bmcl.2006.12.067

upstream raw materials:

o-dichlorobenzenesulfonic acid

2,6-dichlorobenzenesulfonyl chloride

Downstream raw materials:

3-[3-([1,4']Bipiperidinyl-1'-sulfonyl)-4-chloro-2-hydroxy-phenylamino]-4-chloro-cyclobut-3-ene-1,2-dione

3-Chloro-4-[4-chloro-2-hydroxy-3-(4-methyl-[1,4]diazepane-1-sulfonyl)phenylamino]-cyclobut-3-ene-1,2-dione

2-([1,4']bipiperidinyl-1'-sulfonyl)-3-chloro-6-nitro-phenol

1'-(2,6-dichloro-3-nitro-benzenesulfonyl)-[1,4']bipiperidinyl

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