2-[(Z)-(2-Carboxy-3,5-dinitrophenyl)-NNO-azoxy]-4,6-dinitrobenzoic acid

Base Information

• Chemical Name: 2-[(Z)-(2-Carboxy-3,5-dinitrophenyl)-NNO-azoxy]-4,6-dinitrobenzoic acid
• CAS No.: 4276-95-3
• Molecular Formula: C₁₄H₆N₆O₁₃
• Molecular Weight: 466.234
• DSSTox Substance ID: DTXSID10512043
• Mol file: 4276-95-3.mol

Synonyms:4276-95-3;DTXSID10512043;2-[(Z)-(2-Carboxy-3,5-dinitrophenyl)-NNO-azoxy]-4,6-dinitrobenzoic acid

Chemical Property of 2-[(Z)-(2-Carboxy-3,5-dinitrophenyl)-NNO-azoxy]-4,6-dinitrobenzoic acid

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 4
• Exact Mass: 465.99928427
• Heavy Atom Count: 33
• Complexity: 886

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1N=[N+](C2=C(C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)O)[O-])C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 2-[(Z)-(2-Carboxy-3,5-dinitrophenyl)-NNO-azoxy]-4,6-dinitrobenzoic acid

There total 3 articles about 2-[(Z)-(2-Carboxy-3,5-dinitrophenyl)-NNO-azoxy]-4,6-dinitrobenzoic 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:

2,4-dinitro-6-nitroso-benzoic acid (63820-48-4) → 4,6,4',6'-tetranitro-2,2'-azoxy-di-benzoic acid (4276-95-3)

Guidance literature:

With water;

DOI:10.1007/BF02900434

Reference yield:

2,4,6-trinitrobenzaldehyde (606-34-8) → 4,6,4',6'-tetranitro-2,2'-azoxy-di-benzoic acid (4276-95-3)

Guidance literature:

Multi-step reaction with 2 steps

1: benzene / Einwirkung von Sonnenlicht

2: H₂O

With water; benzene;

DOI:10.1007/BF02900434

Reference yield:

→ 4,6,4',6'-tetranitro-2,2'-azoxy-di-benzoic acid (4276-95-3)

Guidance literature:

upstream raw materials:

2,4-dinitro-6-nitroso-benzoic acid

2,4,6-trinitrobenzaldehyde