1,2,4,5-Tetranitrobenzene

Base Information

• Chemical Name: 1,2,4,5-Tetranitrobenzene
• CAS No.: 5967-26-0
• Molecular Formula: C6H2N4O8
• Molecular Weight: 258.104
• DSSTox Substance ID: DTXSID60503188
• Nikkaji Number: J1.898.524A
• Wikidata: Q82356809
• Mol file: 5967-26-0.mol

Synonyms:1,2,4,5-Tetranitrobenzene;5967-26-0;SCHEMBL8688932;DTXSID60503188

Chemical Property of 1,2,4,5-Tetranitrobenzene

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 0
• Exact Mass: 257.98726303
• Heavy Atom Count: 18
• Complexity: 314

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1,2,4,5-Tetranitrobenzene

There total 9 articles about 1,2,4,5-Tetranitrobenzene 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:

2,4,5-trinitro-aniline (32650-52-5) → 1,2,4,5-tetranitrobenzene (5967-26-0)

Guidance literature:

With sulfuric acid; dihydrogen peroxide; at 10 - 18 ℃; for 24h;

DOI:10.1021/jo01300a015

Reference yield:

N-(3-nitrophenyl)acetanilide (122-28-1) → 1,2,4,5-tetranitrobenzene (5967-26-0)

Guidance literature:

Multi-step reaction with 5 steps

1: 28 percent / 96percent H₂SO₄, 90percent HNO₃ / 1.) -3/-4 deg C, 30 min, 2.) -10/-12 deg C, 30 min

2: 95 percent / conc. H₂SO₄ / 0.12 h / 110 °C

3: 76 percent / 90percent HNO₃, Acetic anhydride / acetic acid

4: conc. H₂SO₄ / 1.) 0 deg C, 1 h, 2.) 16.5 h, 25 deg C

5: 83 percent Turnov_. / 100percent H₂SO₄, 98percent H₂O₂ / 24 h / 10 - 18 °C

With sulfuric acid; dihydrogen peroxide; nitric acid; acetic anhydride; In acetic acid;

DOI:10.1021/jo01300a015

Reference yield:

3,4-dinitroaniline (610-41-3) → 1,2,4,5-tetranitrobenzene (5967-26-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 76 percent / 90percent HNO₃, Acetic anhydride / acetic acid

2: conc. H₂SO₄ / 1.) 0 deg C, 1 h, 2.) 16.5 h, 25 deg C

3: 83 percent Turnov_. / 100percent H₂SO₄, 98percent H₂O₂ / 24 h / 10 - 18 °C

With sulfuric acid; dihydrogen peroxide; nitric acid; acetic anhydride; In acetic acid;

DOI:10.1021/jo01300a015

upstream raw materials:

N,N'-(4,6-dinitro-m-phenylene)-bis-hydroxylamine

2,4,5-trinitro-aniline

nitric acid

N-(3-nitrophenyl)acetanilide

Downstream raw materials:

4,6,16,18-tetranitro-10,12,22,24-tetraamino-2,8,14,20-tetraazacalix[4]arene

2,4,5-trinitrochlorobenzene

2,4,5-trinitrobromobenzene

Refernces