1,4-Dinitro-1H-imidazole

Base Information

• Chemical Name: 1,4-Dinitro-1H-imidazole
• CAS No.: 19182-81-1
• Molecular Formula: C3H2N4O4
• Molecular Weight: 158.073
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID90409109
• Wikidata: Q72472528
• Mol file: 19182-81-1.mol

Synonyms:1,4-DINITRO-1H-IMIDAZOLE;1,4-dinitroimidazole;19182-81-1;1H-Imidazole, 1,4-dinitro-;C3H2N4O4;SCHEMBL63217;DTXSID90409109;HZPSREFSUPXCMN-UHFFFAOYSA-N;BCP17502;AKOS006273662;AM90189;AC-27273;AS-40103;CS-0197593;FT-0660856

Chemical Property of 1,4-Dinitro-1H-imidazole

Chemical Property:

• Melting Point: 92-94 °C
• Boiling Point: 433.7 °C at 760 mmHg
• PKA: -6.67±0.61(Predicted)
• Flash Point: 216.1 °C
• PSA: 109.46000
• Density: 2.01 g/cm³
• LogP: 0.87750
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 158.00760456
• Heavy Atom Count: 11
• Complexity: 183

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,4-Dinitro-1H-imidazole 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(N=CN1[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 1,4-Dinitro-1H-imidazole

There total 2 articles about 1,4-Dinitro-1H-imidazole 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: 100.0%

1H-4(5)-nitroimidazole (3034-38-6) → 1,4-dinitro-1H-imidazole (19182-81-1)

Guidance literature:

1H-4⁽⁵⁾-nitroimidazole; With nitric acid; acetic acid; at 25 - 30 ℃;

With acetic anhydride; at 25 - 30 ℃; for 16h;

DOI:10.1039/C9OB00144A

Reference yield: 45.0%

1H-imidazole (288-32-4) → 1H-4(5)-nitroimidazole (3034-38-6) + 1,4-dinitro-1H-imidazole (19182-81-1)

Guidance literature:

With methanesulfonic acid; Nitrogen dioxide; ozone; In dichloromethane; at 0 ℃; for 4h;

Reference yield: 89.0%

2-chloro-5-aminobenzoic acid (89-54-3) + 1,4-dinitro-1H-imidazole (19182-81-1) → 2-chloro-5-(4-nitro-1H-imidazol-1-yl)benzoic acid (1297345-31-3)

Guidance literature:

In methanol; water; at 20 ℃; Darkness;

DOI:10.1016/j.ejmech.2011.01.071

upstream raw materials:

1H-4⁽⁵⁾-nitroimidazole

1H-imidazole

Downstream raw materials:

1-(4'-methylphenyl)-4-nitroimidazole

1-(4-chlorophenyl)-4-nitro-1H-imidazole

1-(4-methoxyphenyl)-4-nitro-1H-imidazole

3-(4-Nitro-imidazol-1-yl)-benzoic acid