55011-46-6Relevant articles and documents
Neutral 5-nitrotetrazoles: Easy initiation with low pollution
Klapoetke, Thomas M.,Sabate, Carles Miro,Stierstorfer, Joerg
experimental part, p. 136 - 147 (2009/03/12)
5-Nitro-2H-tetrazole (1), 1-methyl-5-nitrotetrazole (2) and 2-methyl-5-nitrotetrazole (3) were synthesized starting from the corresponding 5-amino-substituted tetrazoles in good yields and purities. The compounds were fully characterized by analytical and spectroscopic methods and their solid state structures were determined by low temperature X-ray diffraction techniques. Due to the potential of tetrazoles as energetic materials an extensive computational study (CBS-4M) was performed in order to estimate the energies of formation (ΔfU°) of the molecules, which are highly endothermic (1, 2527 kJ kg-1; 2, 2253 kJ kg-1 and 3, 2006 kJ kg-1). The EXPLO5 software was used to calculated the corresponding detonation velocities (Ddet) and detonation pressures (pdet) (1, Ddet = 9457 m s-1 and p det = 390 kbar; 2, Ddet = 8085 m s-1 and p det = 257 kbar and 3, Ddet = 8109 m s-1 and pdet = 262 kbar) by combining the ΔfU° values of the materials with the (X-ray calculated) densities and molecular formulas, giving performances comparable to commonly used secondary explosives (e.g., RDX). Lastly, all three neutral compounds can be easily initiated by impact (2 J) and with high detonation velocities and excellent combined oxygen and nitrogen contents offer a more powerful and environmentally friendly alternative to commonly used primary explosives in initiating devices. The Royal Society of Chemistry and the Centre National de la Recherche Scientifique.
