Polymorphism, phase transformation and energetic properties of 3-nitro-1,2,4-triazole

Abstract

On heating, Form II converts into Form I irreversibly, which indicates Form I is more stable at higher temperatures.

Crystal Structure, Thermal Behavior and Detonation Characterization of Bis(3‐nitro‐1H‐1,2,4‐triazol‐5‐yl)methane

“…These indicate that nitrification has no effect on these parameters, of course, the volume has changed, the Δ V between BNTZM and BATZM is 0.0390 nm 3 /molecular, this result is mainly caused by two nitro group. Other amines are also different from its nitro compounds, for example, the Δ V between 3‐nitro‐1H‐1,2,4‐triazole (0.1054 nm 3 ) [16] and 5‐amino‐1H‐1,2,4‐triazole (0.0916 nm 3 ) [17] is 0.0138 nm 3 /molecular; the Δ V between 3‐amino‐5‐nitro‐1,2,4‐triazole (0.1178 nm 3 ) [18] and 3,5‐diamino‐1H‐1,2,4‐triazole (0.1098 nm 3 ) [19] is 0.0080 nm 3 /molecular. Those indicate that BNTZM has low space utilization.…”

One Step Closer to an Ideal Insensitive Energetic Molecule: 3,5-Diamino-6-hydroxy-2-oxide-4-nitropyrimidone and its Derivatives

“…Examples of these species are TATB, 2,6-diamino-3,5-dinitropyridine-1-oxide (ANPyO), 1,1-diamino-2,2-dinitroethene (FOX-7), and TADNPyO. , Generally speaking, NO 2 , NO, and NHNO 2 are the traditional groups that result in high density in the resulting compounds; − unfortunately, these groups increase the sensitivity of the resulting compounds concomitantly. However, the carbonyl group also increases density significantly without a concomitant increase in sensitivity of the resulting compounds. , For example, the introduction of the CO group into 3-nitro-1,2,4-triazole (NT), 3-dinitromethanide-1,2,4-triazole (DNMT), and cyclotrimethylenetrinitramine (RDX) results in marked increases in density of the resulting compounds NTO, DNMTO, and K-6, ,, from 1.72, 1.75, and 1.81 to 1.92, 1.91, and 1.93 g cm –3 , respectively (Scheme b). The impact sensitivities (IS) are >60, 22, and 7.5 J, respectively, which are equal to or even less sensitive than their precursors.…”

“…However, the carbonyl group also increases density significantly without a concomitant increase in sensitivity of the resulting compounds. 25,26 For example, the introduction of the CO group into 3-nitro-1,2,4-triazole (NT), 27 3dinitromethanide-1,2,4-triazole (DNMT), 28 and cyclotrimethylenetrinitramine (RDX) 29 results in marked increases in density of the resulting compounds NTO, DNMTO, and K-6, 6,30,31 from 1.72, 1.75, and 1.81 to 1.92, 1.91, and 1.93 g cm −3 , respectively (Scheme 1b). The impact sensitivities (IS) are >60, 22, and 7.5 J, respectively, which are equal to or even less sensitive than their precursors.…”

Crystallographic study of the energetic salt 1,2,4-triazolium perchlorate

“…Atoms Cl6, O7 and O8 are on the mirror plane at (x, 1 4 , z), and atoms Cl10, O11 and O12 are located on the mirror plane at (x, 3 4 , z). Structural information with respect to the 1,2,4-triazole ring was retrieved from previous studies (Fuhrmann et al, 1997;Moers et al, 1999;Bujak & Zaleski, 2001, 2002aClaramunt et al 2001;Jin et al, 2006;Daszkiewicz & Marchewka, 2012;Daszkiewicz, 2013;Zhang et al, 2018;Bujak, 2015) and the average bond lengths and angles are listed in Tables 2 and 3. The lengths of the cationic and neutral C5-N1 and N4-C5 bonds were significantly different; however, the bond lengths of the title salt were intermediate between the cationic and neutral bond lengths.…”