4-Nitro-5,6-dihydro-4H-imidazo[1,2-D]tetrazole

Base Information

• Chemical Name: 4-Nitro-5,6-dihydro-4H-imidazo[1,2-D]tetrazole
• CAS No.: 117039-77-7
• Molecular Formula: C₃H₄N₆O₂
• Molecular Weight: 156.104
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40478860
• Wikidata: Q82312546
• Mol file: 117039-77-7.mol

Synonyms:117039-77-7;4-NITRO-5,6-DIHYDRO-4H-IMIDAZO[1,2-D]TETRAZOLE;4-nitro-5,6-dihydroimidazo[2,1-e]tetrazole;DTXSID40478860;AKOS006288635;AKOS015965906;AC-20970

Chemical Property of 4-Nitro-5,6-dihydro-4H-imidazo[1,2-D]tetrazole

Chemical Property:

• Vapor Pressure: 8.72E-06mmHg at 25°C
• Refractive Index: 2.076
• Boiling Point: 373.8°C at 760 mmHg
• Flash Point: 179.9°C
• PSA: 92.66000
• Density: 2.4g/cm³
• LogP: -0.72700
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 156.03957339
• Heavy Atom Count: 11
• Complexity: 179

Purity/Quality:

4-NITRO-5,6-DIHYDRO-4H-IMIDAZO(1,2-D)TETRAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(C2=NN=NN21)[N+](=O)[O-]

Technology Process of 4-Nitro-5,6-dihydro-4H-imidazo[1,2-D]tetrazole

There total 3 articles about 4-Nitro-5,6-dihydro-4H-imidazo[1,2-D]tetrazole 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: 80.0%

7-nitroso-5,6-dihydro-7H-imidazolo[1,2-d]tetrazole → 7-nitro-5,6-dihydro-7H-imidazolo<1,2-d>tetrazole (117039-77-7)

Guidance literature:

With dihydrogen peroxide; trifluoroacetic anhydride; In dichloromethane; for 1h; Heating;

DOI:10.1021/jo0513820

Reference yield: 75.0%

5,6-dihydro-7H-imidazolo<1,2-d>tetrazole (6624-43-7) → 7-nitro-5,6-dihydro-7H-imidazolo<1,2-d>tetrazole (117039-77-7)

Guidance literature:

With nitric acid; acetic anhydride; at 0 ℃; for 0.333333h;

DOI:10.1021/jo00257a037

Reference yield: 68.0%

5,6-dihydro-4H-imidazo[1,2-d]tetrazolium nitrate → 7-nitro-5,6-dihydro-7H-imidazolo<1,2-d>tetrazole (117039-77-7)

Guidance literature:

With sulfuric acid; at -8 - 25 ℃;

DOI:10.1021/jo0513820

upstream raw materials:

5,6-dihydro-7H-imidazolo<1,2-d>tetrazole