(1e)-1,3-Bis(3-nitrophenyl)triaz-1-ene

Base Information

• Chemical Name: (1e)-1,3-Bis(3-nitrophenyl)triaz-1-ene
• CAS No.: 5076-50-6
• Molecular Formula: C12H9N5O4
• Molecular Weight: 287.235
• NSC Number: 125604
• DSSTox Substance ID: DTXSID10964987
• Nikkaji Number: J1.078.145K
• ChEMBL ID: CHEMBL573372
• Mol file: 5076-50-6.mol

Synonyms:5076-50-6;MLS002919840;(1e)-1,3-bis(3-nitrophenyl)triaz-1-ene;NSC125604;CHEMBL573372;DTXSID10964987;1,3-bis(3-nitrophenyl)-1-triazene;1,3-bis(3-nitrophenyl)triaz-1-ene;STL573963;AKOS037627567;NSC-125604;SMR001797440;3-nitro-N-[(E)-(3-nitrophenyl)azo]aniline;AB00080434-01;1-Triazene, 1,3-bis(3-nitrophenyl)-, (1E)-;SR-01000204335;SR-01000204335-1

Chemical Property of (1e)-1,3-Bis(3-nitrophenyl)triaz-1-ene

Chemical Property:

• Vapor Pressure: 3.83E-08mmHg at 25°C
• Boiling Point: 445.8°C at 760 mmHg
• Flash Point: 223.4°C
• Density: 1.48g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 287.06545379
• Heavy Atom Count: 21
• Complexity: 405

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])NN=NC2=CC(=CC=C2)[N+](=O)[O-]

Technology Process of (1e)-1,3-Bis(3-nitrophenyl)triaz-1-ene

There total 10 articles about (1e)-1,3-Bis(3-nitrophenyl)triaz-1-ene 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%

3-nitro-aniline (99-09-2) → 1,3-bis-(3-nitro-phenyl)-triazene (5076-50-6)

Guidance literature:

With SHNC; In water; for 70h; Ambient temperature;

DOI:10.1021/jo9703820

Reference yield:

3-nitro-aniline (99-09-2) → 1,3-bis-(3-nitro-phenyl)-triazene (5076-50-6) + 3-nitrophenyldiazonium chloride (2028-76-4)

Guidance literature:

With benzene; entsteht das Nitrat;

Reference yield:

3-nitro-aniline (99-09-2) → 1,3-bis-(3-nitro-phenyl)-triazene (5076-50-6) + 3-nitrophenyldiazonium tetrafluoroborate (586-36-7)

Guidance literature:

With benzene; entsteht das Nitrat;

upstream raw materials:

4-nitrobenzenediazonium chloride

3-nitro-aniline

dinitrogen tetraoxide

benzene

Downstream raw materials:

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

3-ethyl-1,3-bis-(3-nitro-phenyl)-triazene

N-(3-nitrophenyl)phthalimide

3-methyl-1,3-bis-(3-nitro-phenyl)-triazene