2,4-Diamino-1,3-dinitrobenzene

Base Information

• Chemical Name: 2,4-Diamino-1,3-dinitrobenzene
• CAS No.: 10199-87-8
• Molecular Formula: C6H6N4O4
• Molecular Weight: 198.138
• Hs Code.: 2921519090
• DSSTox Substance ID: DTXSID70477629
• Nikkaji Number: J81.470I
• Mol file: 10199-87-8.mol

Synonyms:2,4-Diamino-1,3-dinitrobenzene;10199-87-8;2,4-Dinitrobenzene-1,3-diamine;1,3-DINITRO-2,4-DIAMINO-BENZENE;2,4-dinitro-1,3-phenylenediamine;SCHEMBL2145662;DTXSID70477629;AKOS006276042;FT-0724488

Chemical Property of 2,4-Diamino-1,3-dinitrobenzene

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.747
• Boiling Point: 482.481 °C at 760 mmHg
• Flash Point: 245.596 °C
• PSA: 143.68000
• Density: 1.684 g/cm³
• LogP: 2.87620
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 198.03890469
• Heavy Atom Count: 14
• Complexity: 247

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,4-DIAMINO-1,3-DINITROBENZENE 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(=C1N)[N+](=O)[O-])N)[N+](=O)[O-]

Technology Process of 2,4-Diamino-1,3-dinitrobenzene

There total 47 articles about 2,4-Diamino-1,3-dinitrobenzene 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: 76.0%

meta-dinitrobenzene (99-65-0) → 2,4-dinitro-1,3-phenylenediamine (10199-87-8)

Guidance literature:

With potassium tert-butylate; N,N,N-trimethylhydrazinium iodide; In dimethyl sulfoxide; Ambient temperature;

DOI:10.1021/jo952257z

Reference yield: 70.0%

meta-dinitrobenzene (99-65-0) → 2,4-dinitro-1,3-phenylenediamine (10199-87-8) + 2,4-Dinitroanilin (97-02-9)

Guidance literature:

With potassium permanganate; ammonia; at -33 ℃;

DOI:10.1023/B:RUJO.0000044545.10133.96

Reference yield: 47.0%

2,6-dinitroaniline (606-22-4) → 2,4-dinitro-1,3-phenylenediamine (10199-87-8) + 2-Amino-4-(methylamino)-1,3-dinitrobenzene

Guidance literature:

With potassium permanganate; methylamine; at -7 ℃; for 0.166667h;

DOI:10.1002/recl.19951140104

upstream raw materials:

meta-dinitrobenzene

1-chloro-2,4-dinitrochlorobenzene

2,4-dinitroresorcinol

N,N-diethyl-2,3,4-trinitro-aniline

Downstream raw materials:

2,4-dinitroresorcinol

Refernces

• 1、 Pagoria, Philip F.,Mitchell, Alexander R.,Schmidt, Robert D.. "1,1,1-trimethylhydrazinium iodide: A novel, highly reactive reagent for aromatic amination via vicarious nucleophilic substitution of hydrogen". . p. 2934 - 2935. Retrieved 2007/10/03.