81360-42-1

Basic information

• Product Name: DNNC
• Synonyms: 1,3,5,5-Tetranitrohexahydropyrimidine;DNNC
• CAS NO: 81360-42-1
• Molecular Formula: C4H6N6O8
• Molecular Weight: 266.12584
• Mol File: 81360-42-1.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 713.5°C at 760 mmHg
• Flash Point: 385.3°C
• Appearance: /
• Density: 1.91g/cm³
• Vapor Pressure: 3.3E-20mmHg at 25°C
• Refractive Index: 1.644
• CAS DataBase Reference: DNNC(CAS DataBase Reference)
• NIST Chemistry Reference: DNNC(81360-42-1)
• EPA Substance Registry System: DNNC(81360-42-1)

Safety Data

• Hazardous Substances Data: 81360-42-1(Hazardous Substances Data)

Usage

Purification Methods

Crystallise the nitropyrimidine from EtOH (5x) and sublime it (~65o/0.05mm) [Cichra & Adiolph J Org Chem 47 2474 1982, J Labelled Comp Radiopharm 29 1197 1991].

InChI:InChI=1/C4H6N6O8/c11-7(12)4(8(13)14)1-5(9(15)16)3-6(2-4)10(17)18/h1-3H2

Upstream product

• 34924-01-1 1,3-di-tert-butyl-5,5-dinitrotetrahydropyrimidine 
• 50-00-0 formaldehyd 
• 2736-80-3 2,2-dinitro-1,3-propanediol 
• 60025-02-7 1,3,5-Trinitrohexahydropyrimidine 

Relevant articles and documents

Synthesis and properties of azamonocyclic energetic materials with geminal explosophores

Diversity-oriented synthesis of energetic pyrimidine structures with geminal explosophoric groups of geminal dinitro and azido-nitro groupsviaa novel reductive cleavage and oxidative coupling strategy is reported. Fluorine has also been introduced for the first time based on the nucleophilic coupling process. The obtained energetic pyrimidines are investigatedviaX-ray diffraction and theoretical techniques of electrostatic potential and proton affinity calculations. Both experimental and calculation results showed impressive detonation performances and good application prospects of the energetic pyrimidine structures. Among them, DNNC exhibited great promise as a green oxidant in solid propellant formulations to replace ammonium perchlorate (AP). TNHA (ρ= 1.79 g cm?3,D= 8537 m s?1,P= 32.69 Gpa) and TNHF (ρ= 1.85 g cm?3,D= 8517 m s?1,P= 32.64 Gpa) proved to be ideal candidates for high explosives due to their high densities and detonation properties. Moreover, TNHA could also be applied as a potential underwater explosive owing to its great heat of formation.

Synthesis of heterocyclic geminal nitro azides

The oxidative azidation reactions of C-nitro-substituted saturated heterocyclic compounds, viz., the nitro derivatives of oxetane, azetidine, 1,3-dioxane, tetrahydro-1,3-oxazine, and hexahydropyrimidine, were investigated. A novel representatives of the geminal nitro azides were prepared and their physicochemical properties were studied. The process of the formation of the geminal dinitro compounds upon oxidative azidation was analyzed.

Nitrolysis of Dialkyl tert-Butylamines

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