63441-08-7

Basic information

• Product Name: 1,1'-oxybis(2,4,6-trinitrobenzene)
• Synonyms: 1,1'-oxybis(2,4,6-trinitrobenzene);2,4,6,2',4',6'-Hexanitrodiphenyl oxide
• CAS NO: 63441-08-7
• Molecular Formula: C₁₂H₄N₆O₁₃
• Molecular Weight: 440.19256
• EINECS: 264-146-9
• Mol File: 63441-08-7.mol
• Article Data: 2

Chemical Properties

• Melting Point: 252 °C (decomp)
• Boiling Point: 494.4±45.0 °C(Predicted)
• Appearance: /
• Density: 1.905±0.06 g/cm3(Predicted)
• CAS DataBase Reference: 1,1'-oxybis(2,4,6-trinitrobenzene)(CAS DataBase Reference)
• NIST Chemistry Reference: 1,1'-oxybis(2,4,6-trinitrobenzene)(63441-08-7)
• EPA Substance Registry System: 1,1'-oxybis(2,4,6-trinitrobenzene)(63441-08-7)

Safety Data

• Hazardous Substances Data: 63441-08-7(Hazardous Substances Data)

Usage

General Description

1,1'-oxybis(2,4,6-trinitrobenzene) is a chemical compound with the molecular formula C12H6N6O12. Also known as OBTNB or OBN, it is a highly explosive and toxic substance that is used primarily in the production of explosives and propellants. It is a yellow crystalline solid with a high level of sensitivity to impact, friction, and heat. Due to its hazardous nature, OBTNB is tightly regulated and controlled, and its use is restricted to licensed professionals and organizations. Exposure to OBTNB can cause severe health effects, including skin and respiratory irritation, and it is considered a potential environmental hazard. Due to its potential for misuse in explosive devices, OBTNB is also monitored and controlled as a precursor chemical under international conventions and regulations.

Upstream product

• 101-84-8 diphenylether 
• 2486-07-9 2,4-dinitrophenyl phenyl ether 
• 620-88-2 4-nitrophenyl phenyl ether 
• 2216-12-8 1-nitro-2-phenoxy-benzene 
• 2217-56-3 bis(2,4-dinitrophenyl) ether 
• 88-88-0 2,4,6-trinitrochlorobenzene 
• 88-89-1 2,4,6-Trinitrophenol 

Downstream Products

• 1701-63-9 quinoline picrate 
• 88-89-1 2,4,6-Trinitrophenol 
• 1152-90-5 pyridinium picrate 

Relevant articles and documents

Correlation between structure and energetic properties of three nitroaromatic compounds: Bis(2,4-dinitrophenyl) ether, bis(2,4,6-trinitrophenyl) ether, and bis(2,4,6-trinitrophenyl) thioether

Decades after the initial discovery of bis(2,4,6-trinitrophenyl) ether derivatives, the first single-crystal X-ray structures for three members of this compound class can finally be shown and the analytical data could be completed. This group of molecules is an interesting example that illustrates why older predictive models for the sensitivity values of energetic materials like bond dissociation enthalpy and electrostatic potential sometimes give results that deviate significantly from the experimentally determined values. By applying newer models like Hirshfeld surface analysis and fingerprint plot analysis that utilize the crystal structure of an energetic material, the experimentally found trend of sensitivities could be understood and the older models could be brought into a proper perspective. In the future, the prediction of structure-property relationships for energetic molecules starting from a crystal structure can be achieved and should be pursued.