6H-Benzotriazolo[2,1-a]benzotriazol-5-ium, 1,3,7,9-tetranitro-, inner salt

Base Information

Chemical Name:6H-Benzotriazolo[2,1-a]benzotriazol-5-ium, 1,3,7,9-tetranitro-, inner salt
CAS No.:25243-36-1
Deprecated CAS:15285-07-1,47584-15-6,1238304-27-2,1238304-27-2,47584-15-6
Molecular Formula:C₁₂H₄N₈O₈
Molecular Weight:388.213
Hs Code.:
European Community (EC) Number:246-752-5
DSSTox Substance ID:DTXSID9067069
Wikidata:Q81993647
Mol file:25243-36-1.mol

Synonyms:TACOT cpd;tetranitro-2,3,5,6-dibenzo-1,3a,4,6a-tetraazapentalene

Suppliers and Price of 6H-Benzotriazolo[2,1-a]benzotriazol-5-ium, 1,3,7,9-tetranitro-, inner salt

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 6 raw suppliers

Chemical Property of 6H-Benzotriazolo[2,1-a]benzotriazol-5-ium, 1,3,7,9-tetranitro-, inner salt

Chemical Property:

Melting Point:410 °C
Boiling Point:°Cat760mmHg
Flash Point:°C
PSA：217.88000
Density:g/cm³
LogP:3.86080
XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:0
Exact Mass:388.01520912
Heavy Atom Count:28
Complexity:654

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=C(C=C(C2=C1N3N=C4C(=CC(=CC4=[N+]3[N-]2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 6H-Benzotriazolo[2,1-a]benzotriazol-5-ium, 1,3,7,9-tetranitro-, inner salt

There total 2 articles about 6H-Benzotriazolo[2,1-a]benzotriazol-5-ium, 1,3,7,9-tetranitro-, inner salt 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: 75.0%

: 206868-06-6,7120-73-2,121711-76-0,3682-82-4,37554-47-5
dibenzo<1,3a,4,6a>tetraazapentalene

: 171195-81-6,25243-36-1
1,3,7,9-tetranitrodibenzo-1,3a,4,6a-tetraazapentalene

Guidance literature:: With sulfuric acid; nitric acid; at 60 ℃;
DOI:10.1021/jo00124a024

Reference yield:

: 171195-81-6,25243-36-1
1,3,7,9-tetranitrodibenzo-1,3a,4,6a-tetraazapentalene

Guidance literature:: DOI:10.1021/ja00987a021

Reference yield:

: 171195-81-6,25243-36-1
1,3,7,9-tetranitrodibenzo-1,3a,4,6a-tetraazapentalene

: 207122-95-0
4,10-bis(triphenylphosphinimino)-2,8-dinitrobenzotriazolo[2,1-a]benzotriazole

Guidance literature:: Multi-step reaction with 2 steps

1: 46 percent / NaN₃ / dimethylsulfoxide / 1 h / 100 °C

2: 90 percent / benzene / 48 h / Ambient temperature

With sodium azide; In dimethyl sulfoxide; benzene;
DOI:10.1021/jo972252x