Benzene, 1,3,5-tribromo-2,4,6-trinitro-

Base Information

• Chemical Name: Benzene, 1,3,5-tribromo-2,4,6-trinitro-
• CAS No.: 83430-12-0
• Molecular Formula: C6Br3N3O6
• Molecular Weight: 449.795
• DSSTox Substance ID: DTXSID30406612
• Nikkaji Number: J3.199.612K
• Wikidata: Q82211668
• Mol file: 83430-12-0.mol

Synonyms:1,3,5-tribromo-2,4,6-trinitrobenzene;83430-12-0;SCHEMBL3518192;DTXSID30406612;AKOS001092690;Z57056416

Chemical Property of Benzene, 1,3,5-tribromo-2,4,6-trinitro-

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 448.73167
• Heavy Atom Count: 18
• Complexity: 303

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=C(C(=C(C(=C1Br)[N+](=O)[O-])Br)[N+](=O)[O-])Br)[N+](=O)[O-]

Technology Process of Benzene, 1,3,5-tribromo-2,4,6-trinitro-

There total 3 articles about Benzene, 1,3,5-tribromo-2,4,6-trinitro- 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: 59.0%

1,3,5-trisbromobenzene (626-39-1) → 1,3,5-tribromo-2,4,6-trinitrobenzene (83430-12-0)

Guidance literature:

With sulfuric acid; sulfur trioxide; potassium nitrate;

DOI:10.1002/anie.201805472

Reference yield:

2,4,6-tribromo-1,3-dinitrobenzene (51686-79-4) → 1,3,5-tribromo-2,4,6-trinitrobenzene (83430-12-0)

Guidance literature:

With sulfuric acid; nitric acid; man faellt mit Eis, kocht den Niederschlag mit Alkohol und krystallisiert aus Chloroform um;

Reference yield:

→ 1,3,5-tribromo-2,4,6-trinitrobenzene (83430-12-0)

Guidance literature:

2,4,6-Tribrom-1,3-dinitro-benzol, KNO3 (4 Mol), rauch. H2SO4 (30percent SO3) <9h, 125+-1grad);

DOI:10.1021/jo01076a602

upstream raw materials:

2,4,6-tribromo-1,3-dinitrobenzene

1,3,5-trisbromobenzene

Downstream raw materials:

2,4,6-triamino-1,3,5-trinitrobenzene

2,4-diethoxy-1,3,5-trinitro-benzene

1,3,5-triisopropoxy-2,4,6-trinitro-benzene

1.3.5-Tri-n-propoxy-2.4.6-trinitro-benzol

Refernces