2-Amino-4-nitrobenzenesulfonic acid

Base Information

• Chemical Name: 2-Amino-4-nitrobenzenesulfonic acid
• CAS No.: 24311-40-8
• Molecular Formula: C6H6 N2 O5 S
• Molecular Weight: 218.19
• Hs Code.: 2921420090
• DSSTox Substance ID: DTXSID30179051
• Nikkaji Number: J88.249F
• Wikidata: Q83049573
• Mol file: 24311-40-8.mol

Synonyms:2-amino-4-nitrobenzenesulfonic acid;24311-40-8;4-NITRO-2-AMINOBENZENESULFONICACID;4-Nitro-o-sulfanilic acid;SCHEMBL1485915;DTXSID30179051;YMJXNYUOEJPKHH-UHFFFAOYSA-N;1-Nitro-3-aminobenzol-4-sulfosaure;AKOS015967350

Chemical Property of 2-Amino-4-nitrobenzenesulfonic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 134.59000
• Density: 1.727g/cm³
• LogP: 2.60890
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 217.99974247
• Heavy Atom Count: 14
• Complexity: 316

Purity/Quality:

99% ^*data from raw suppliers

4-NITRO-2-AMINOBENZENESULFONIC ACID 95.00% ^*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-])N)S(=O)(=O)O

Technology Process of 2-Amino-4-nitrobenzenesulfonic acid

There total 13 articles about 2-Amino-4-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: 90.0%

5-nitrobenzothiazole (2942-07-6) → 3-nitroaniline-6-sulphonic acid (24311-40-8)

Guidance literature:

With [RuCl(P(C₆H₅)3)2(O(C₆H₄)NCH(C₄H₃N))]; bromamine B; sodium hydroxide; In water; acetonitrile; at 39.84 ℃; for 5.83333h;

DOI:10.1016/j.molcata.2010.06.006

Reference yield:

3-nitro-aniline (99-09-2) → 3-nitroaniline-6-sulphonic acid (24311-40-8)

Guidance literature:

With diphenyl sulphone; sulfuric acid;

Reference yield:

dinitrobenzenesulfenic acid methyl ester (10344-04-4) → 3-nitroaniline-6-sulphonic acid (24311-40-8)

Guidance literature:

With hydrogenchloride;

DOI:10.1021/ja01609a039

upstream raw materials:

dinitrobenzenesulfenic acid methyl ester

3-nitro-aniline

2,4-dinitrobenzenesulfenyl acetate

water

Downstream raw materials:

2,4-Diaminobenzenesulfonic acid

2,4,6-tribromo-3-nitro-aniline

2-amino-4-nitro-benzenesulfonic acid amide

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