117907-74-1

Basic information

• Product Name: 5,7-Diamino-4,6-dinitrobenzofuroxan
• Synonyms: 5,7-Diamino-4,6-dinitrobenzofuroxan
• CAS NO: 117907-74-1
• Molecular Formula: C₆H₄N₆O₆
• Molecular Weight: 256.13256
• Mol File: 117907-74-1.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 645.532°C at 760 mmHg
• Flash Point: 344.206°C
• Appearance: /
• Density: 2.673g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 2.05
• CAS DataBase Reference: 5,7-Diamino-4,6-dinitrobenzofuroxan(CAS DataBase Reference)
• NIST Chemistry Reference: 5,7-Diamino-4,6-dinitrobenzofuroxan(117907-74-1)
• EPA Substance Registry System: 5,7-Diamino-4,6-dinitrobenzofuroxan(117907-74-1)

Safety Data

• Hazardous Substances Data: 117907-74-1(Hazardous Substances Data)

Usage

InChI:InChI=1/C6H4N6O6/c7-1-4(10(13)14)2(8)6-3(5(1)11(15)16)9-18-12(6)17/h7-8H2

Upstream product

• 5128-28-9 4,6-dinitrobenzofuroxan 
• 3058-38-6 2,4,6-triamino-1,3,5-trinitrobenzene 

Relevant articles and documents

Photolysis of the insensitive explosive 1,3,5-triamino-2,4,6-trinitrobenzene (Tatb)

The explosive 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) is of particular interest due to its extreme insensitivity to impact, shock and heat, while providing a good detonation velocity. To determine its fate under environmental conditions, TATB powder was irradiated with simulated sunlight and, in water, under UV light at 254 nm. The hydrolysis of particles submerged in neutral and alkaline solutions was also examined. We found that, by changing experimental conditions (e.g., light source, and mass and physical state of TATB), the intermediates and final products were slightly different. Mono-benzofurazan was the major transformation product in both irradiation systems. Two minor transformation products, the aci-nitro form of TATB and 3,5-diamino-2,4,6-trinitrophenol, were detected under solar light, while 1,3,5-triamino-2-nitroso-4,6-dinitrobenzene, 1,3,5-triamino-2,4-dinitrobenzene and mono-benzofuroxan were produced under UV light. The product identified as 3,5-diamino-2,4,6-trinitrophenol was identical to the one formed in the dark under alkaline conditions (pH 13) and in water incubated at either 50? C or aged at ambient conditions. Interestingly, when only a few milligrams of TATB were irradiated with simulated sunlight, the aci-isomer and mono-benzofurazan derivative were detected; however, the hydrolysis product 3,5-diamino-2,4,6-trinitrophenol formed only much later in the absence of light. This suggests that the water released from TATB to form mono-benzofurazan was trapped in the interstitial space between the TATB layers and slowly hydrolyzed the relatively stable aci-nitro intermediate to 3,5-diamino-2,4,6-trinitrophenol. This environmentally relevant discovery provides data on the fate of TATB in surface environments exposed to sunlight, which can transform the insoluble substrate into more soluble and corrosive derivatives, such as 3,5-diamino-2,4,6-trinitrophenol, and that some hydrolytic transformation can continue even without light.