949-56-4

Basic information

• Product Name: 3,7-dinitro-1,3,5,7-tetraazabicyclo[3.3.1]nonane
• Synonyms: 3,7-dinitro-1,3,5,7-tetraazabicyclo[3.3.1]nonane;Dinitropentamethylenetetramine;1,5-Endomethylene-3,7-dinitro-1,3,5,7-tetraazacyclooctane
• CAS NO: 949-56-4
• Molecular Formula: C₅H₁₀N₆O₄
• Molecular Weight: 218.1707
• EINECS: 213-441-0
• Mol File: 949-56-4.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 535.5°Cat760mmHg
• Flash Point: 277.7°C
• Appearance: /
• Density: 1.74g/cm³
• Vapor Pressure: 1.52E-11mmHg at 25°C
• Refractive Index: 1.705
• CAS DataBase Reference: 3,7-dinitro-1,3,5,7-tetraazabicyclo[3.3.1]nonane(CAS DataBase Reference)
• NIST Chemistry Reference: 3,7-dinitro-1,3,5,7-tetraazabicyclo[3.3.1]nonane(949-56-4)
• EPA Substance Registry System: 3,7-dinitro-1,3,5,7-tetraazabicyclo[3.3.1]nonane(949-56-4)

Safety Data

• Hazardous Substances Data: 949-56-4(Hazardous Substances Data)

Usage

InChI:InChI=1/C5H10N6O4/c12-10(13)8-2-6-1-7(4-8)5-9(3-6)11(14)15/h1-5H2

Upstream product

• 50-00-0 formaldehyd 
• 107-15-3 ethylenediamine 
• 176501-96-5 N,N′-dinitrourea 
• 100-97-0 hexamethylenetetramine 
• 556-89-8 nitrourea 
• 57-13-6 urea 
• 67-56-1 methanol 
• 6072-77-1 1-methoxymethyl-3,5-dinitro-[1,3,5]triazinane 
• 121-82-4 Hexahydro-1,3,5-trinitro-1,3,5-triazine 

Downstream Products

• 124-38-9 carbon dioxide 
• 201230-82-2 carbon monoxide 
• 7727-37-9 nitrogen 
• 10024-97-2 dinitrogen monoxide 
• 121-82-4 Hexahydro-1,3,5-trinitro-1,3,5-triazine 
• 2691-41-0 octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine 
• 13980-00-2 octahydro-1-N-acetyl-3,5,7-trinitro-1,3,5,7-tetrazocine 
• 50850-26-5 1,5-diacetyl-3,7-dinitro-1,3,5,7-tetraazacyclooctane 

Relevant articles and documents

Identifying urotropine derivatives as co-donors of formaldehyde and nitric oxide for improving antitumor therapy

A pharmacophore integration strategy was utilized to develop the first co-donor of formaldehyde and nitric oxide (FANO), composed of urotropine derived nitramine/nitrosamine. FANO simultaneously generated formaldehyde and nitric oxide on-demand, resulting in synergistic anticancer effects. Importantly, liposomal formulation of FANO effectively inhibited tumor growth with minimal side-effects, providing a potent combined nitric oxide therapy for malignancy.

Solubility of 3,7-Dinitro-1,3,5,7-tetraazabicyclo [3.3.1] Nonane in Ethanenitrile, Methanol, 1,1-Dichloroethane, Dimethyl Sulfoxide, Acetone, and Mixed Solvents

The solubility of 3,7-dinitro-1,3,5,7-tetraazabicyclo [3.3.1] nonane (DPT) was measured in ethanenitrile, methanol, 1,1-dichloroethane, dimethyl sulfoxide (DMSO), acetone, ethyl acetate, ethyl acetate and methanol mixture, and acetonitrile and water mixture from 288.15 K to 308.15 K. In this paper, the determination method of DPT was first established by high-performance liquid chromatography (HPLC) with optimized chromatographic conditions. The solubility of DPT in all solvents was measured upon this chromatographic method. Experimental results show that the order of solubility can be represented as DMSO > acetonitrile > ethyl acetate > ethyl acetate/methanol (9:1, v/v) > ethyl acetate/methanol (7:3, v/v) > acetone > acetonitrile/water (9:1, v/v) > ethyl acetate/methanol (5:5, v/v) > acetonitrile/water (7:3, v/v) > 1,1 - dichloroethane > methanol. Moreover, its solubility increased with raising the temperature. The thermodynamic properties of DPT, such as solution enthalpy, have also been calculated.

The first controlled reduction of the high explosive RDX

The first reduction chemistry of the high explosive RDX that allows subsequent functionalization into a SERRS active species.