1,3-Dinitro-2-imidazolidinone

Base Information

• Chemical Name: 1,3-Dinitro-2-imidazolidinone
• CAS No.: 2536-18-7
• Molecular Formula: C3H4 N4 O5
• Molecular Weight: 176.089
• NSC Number: 77356
• DSSTox Substance ID: DTXSID5062500
• Wikidata: Q81990073
• Mol file: 2536-18-7.mol

Synonyms:1,3-Dinitro-2-imidazolidinone;1,3-Dinitro-2-imidazolidone;2536-18-7;N,N'-Dinitro-N,N'-ethyleneurea;2-IMIDAZOLIDINONE, 1,3-DINITRO-;NSC 77356;BRN 0202106;5-24-01-00163 (Beilstein Handbook Reference);1,3-dinitroimidazolidin-2-one;NSC77356;2-Imidazolidinone,3-dinitro-;C3H4N4O5;SCHEMBL1754761;DTXSID5062500;1,3-dinitro-imidazolidin-2-one;C3-H4-N4-O5;NSC-77356;1,3-dinitrotetrahydro-2H-imidazol-2-one;LS-79460;1,3-Diazacyclopentan-2-one 1,3-dinitro-

Chemical Property of 1,3-Dinitro-2-imidazolidinone

Chemical Property:

• Vapor Pressure: 4.21E-05mmHg at 25°C
• Refractive Index: 1.8010 (estimate)
• Boiling Point: 351.1°Cat760mmHg
• Flash Point: 166.1°C
• PSA: 115.19000
• Density: 1.84g/cm³
• LogP: 0.02960
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 176.01816924
• Heavy Atom Count: 12
• Complexity: 216

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(C(=O)N1[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 1,3-Dinitro-2-imidazolidinone

There total 2 articles about 1,3-Dinitro-2-imidazolidinone 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%

imidazolidone (120-93-4) → 1,3-dinitroimidazolidin-2-one (2536-18-7)

Guidance literature:

With nitric acid;

DOI:10.1021/acs.inorgchem.0c03752

Reference yield: 100.0%

2-nitroamino-1,3-diazacyclopent-2-ene (5465-96-3) → 1,3-dinitroimidazolidin-2-one (2536-18-7)

Guidance literature:

With nitric acid; at 20 ℃; for 0.25h;

Reference yield: 88.0%

1,3-dinitroimidazolidin-2-one (2536-18-7) → 1,4-dinitro-1,4-diazabutane (505-71-5)

Guidance literature:

With water; at 100 ℃; for 0.0833333h;

DOI:10.1021/acs.inorgchem.0c03752

upstream raw materials:

imidazolidone

2-nitroamino-1,3-diazacyclopent-2-ene

Downstream raw materials:

1,4-dinitro-1,4-diazabutane

methylammonium carbonate

Refernces

• 1、 Gruhne, Michael S.,Lommel, Marcus,Wurzenberger, Maximilian H. H.,Klap?tke, Thomas M.,Stierstorfer, J?rg. "Investigation of Ethylenedinitramine as a Versatile Building Block in Energetic Salts, Cocrystals, and Coordination Compounds". . p. 4816 - 4828. Retrieved 2021.
• 2、 Bircher,Ochsenbein,Hauser,Burgi. "Bis(hydrazinium) N,N′-dinitroethylenediaminate(2-)". . p. 2002 - 2004. Retrieved 1996.
• 3、 Astakhov,Stepanov,Kruglyakova,Kekin. "1-Nitroimidazolidin-2-one and its hydrolysis to 1-amino-2-nitroaminoethane". . p. 575 - 576. Retrieved 2007/10/03.