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

Base Information

• Chemical Name: 1,3,5-Triazido-2,4,6-trinitrobenzene
• CAS No.: 29306-57-8
• Molecular Formula: C6N12 O6
• Molecular Weight: 336.143
• Hs Code.: 2929909090
• UNII: 25NHL6Y97G
• DSSTox Substance ID: DTXSID30183552
• Wikipedia: 1,3,5-Triazido-2,4,6-trinitrobenzene
• Wikidata: Q4545665
• Mol file: 29306-57-8.mol

Synonyms:1,3,5-triazido-2,4,6-trinitrobenzene;TNTAZB

Chemical Property of 1,3,5-Triazido-2,4,6-trinitrobenzene

Chemical Property:

• Melting Point: 128-130° (dec)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 286.71000
• Density: g/cm³
• LogP: 4.16448
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 3
• Exact Mass: 336.00637577
• Heavy Atom Count: 24
• Complexity: 573

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Uses -> Explosives
• Canonical SMILES: C1(=C(C(=C(C(=C1[N+](=O)[O-])N=[N+]=[N-])[N+](=O)[O-])N=[N+]=[N-])[N+](=O)[O-])N=[N+]=[N-]
• Uses: Initiator or solid rocket propellant in military explosives.

Technology Process of 1,3,5-Triazido-2,4,6-trinitrobenzene

There total 7 articles about 1,3,5-Triazido-2,4,6-trinitrobenzene 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:

1,3,5-trichloro-2,4,6-trinitrobenzene (2631-68-7) → 1,3,5-trinitro-2,4,6-triazidobenzene (29306-57-8)

Guidance literature:

With methanol; sodium azide;

Reference yield:

1,3,5-Triazido-2,4-dinitro-benzol (98137-93-0) → 1,3,5-trinitro-2,4,6-triazidobenzene (29306-57-8)

Guidance literature:

With sulfuric acid; nitric acid;

DOI:10.1016/0040-4020(58)80003-4

Reference yield:

1,3,5-trichlorobenzene (108-70-3,63697-19-8) → 1,3,5-trinitro-2,4,6-triazidobenzene (29306-57-8)

Guidance literature:

Multi-step reaction with 2 steps

1: fuming sulfuric acid; fuming nitric acid / 90 - 95 °C / anschliessendes Erhitzen bis auf 150grad

2: aqueous ethanol; NaN₃

With sodium azide; ethanol; sulfuric acid; nitric acid;

upstream raw materials:

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

1,3,5-Triazido-2,4-dinitro-benzol

ethanol

acetone

Downstream raw materials:

benzotrifuroxan