1-Methyl-2,4,5-trinitroimidazole

Base Information

• Chemical Name: 1-Methyl-2,4,5-trinitroimidazole
• CAS No.: 19183-20-1
• Molecular Formula: C4H3N5O6
• DSSTox Substance ID: DTXSID401301728
• Nikkaji Number: J1.711.965F

Synonyms:1-methyl-2,4,5-trinitroimidazole;19183-20-1;SCHEMBL650513;MNYFLTUIJHCVIQ-UHFFFAOYSA-N;DTXSID401301728;1-methyl 2,4,5-trinitroimidazole

Chemical Property of 1-Methyl-2,4,5-trinitroimidazole

Chemical Property:

• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 217.00833283
• Heavy Atom Count: 15
• Complexity: 302

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1C(=C(N=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 1-Methyl-2,4,5-trinitroimidazole

There total 3 articles about 1-Methyl-2,4,5-trinitroimidazole 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: 37.0%

1-methyl-1H-imidazole (616-47-7) → 1-methyl-2,4-dinitroimidazole (5213-50-3) + 1-methyl-2,4,5-trinitroimidazole (19183-20-1) + 1-methyl-2-nitroimidazole (1671-82-5,176738-19-5)

Guidance literature:

With nitronium tetrafluoborate; In nitromethane; at -20 - 125 ℃; for 3.16667h; Product distribution / selectivity;

Reference yield: 1.0%

1-methyl-1H-imidazole (616-47-7) → 1-methyl-4-nitro-1H-imidazole (3034-41-1) + 1-methyl-2,4-dinitroimidazole (5213-50-3) + 1-methyl-2,4,5-trinitroimidazole (19183-20-1) + 1-methyl-2-nitroimidazole (1671-82-5,176738-19-5)

Guidance literature:

With sulfuric acid; sulfur trioxide; nitric acid; at 110 - 120 ℃; for 2h; Product distribution / selectivity;

Reference yield:

1-methyl-1H-imidazole (616-47-7) → 1-methyl-2,4,5-trinitroimidazole (19183-20-1) + 1-methyl-2-nitroimidazole (1671-82-5,176738-19-5) + 1-methyl-4,5-dinitro-1H-imidazole (19183-15-4)

Guidance literature:

With nitronium tetrafluoborate; In nitromethane; at -20 - 125 ℃;

DOI:10.1055/s-0030-1260148

upstream raw materials:

1-methyl-1H-imidazole

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