Structure of 3-amino-5-nitro-1,2,4-triazole

Garcia, Edward E.; Lee, Kien-Yin

doi:10.1107/s010827019100375x

Cited by 34 publications

(31 citation statements)

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“…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.…”

Section: Resultsmentioning

confidence: 99%

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

Yan

Hong-ya

et al. 2020

Propellants Explo Pyrotec

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Bis(3‐nitro‐1H‐1,2,4‐triazol‐5‐yl)methane (BNTZM) was synthesized and the crystal structure was determined by X‐ray diffraction. It belongs to orthorhombic system with space group Fdd2. Its thermal behavior and non‐isothermal decomposition kinetics were studied with DSC and TG/DTG methods. The self‐accelerating decomposition temperature (TSADT), thermal ignition temperature (TTIT), and critical temperature of thermal explosion (Tb) are 540 K, 552 K, and 558 K, respectively. Its detonation velocity (D) and detonation pressure (P) were estimated using the nitrogen equivalent equation according to the experimental density. The above results of BNTZM were compared with those of Bis(5‐amino‐1H‐1,2,4‐triazol‐3‐yl)methane (BATZM) and 5,5'‐dinitroimino‐3,3’‐methylene‐1H‐1,2,4‐triazole (DNBTM), and the effect of amino, nitro and nitroimino group on them were discussed.

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Section: Resultsmentioning

confidence: 99%

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

Yan

Hong-ya

et al. 2020

Propellants Explo Pyrotec

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“…Thus the compounds require functional groups at first, a carboxy or carboxyalkyl group, so that the molecules could be linked to surfaces using amide bridges. Since many new energetic materials such as NTO (5 nitro 1,2,4 triazol 3 one) 5 and ANTA (3 amino 5 nitro 1,2,4 triazole) 6 ( Fig. 1) are based on triazole heterocycles we tried to combine carboxyl groups with 1,2,4 triazoles connected to other energetic functionalities such as azide, nitro or nitramine groups.…”

Section: Introductionmentioning

confidence: 99%

Synthesis and reactivity of an unexpected highly sensitive 1-carboxymethyl-3-diazonio-5-nitrimino-1,2,4-triazole

Klapötke¹,

Nordheider²,

Stierstorfer³

2012

New J. Chem.

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“…Due to the increased amount of hydrogen bonding in these compounds C -aminonitroazoles have significantly higher densities than the ones observed for the corresponding N -aminonitroazoles. In the crystal structure of 1c [44], each molecule is surrounded by four adjacent molecules via six strong hydrogen bonds toward the nitrogen atoms of C -amino group and the triazole ring, and the oxygen atoms of the nitro group. It is remarkable that all nitrogen atoms of the triazole ring act as acceptor atoms for hydrogen bonds.…”

Section: Resultsmentioning

confidence: 99%

“…We synthesized 1n , using hydroxylamine- O -sulfonic acid (HOSA) as the amination reagent, and fully characterized it. Though both on structural and energetic properties of compounds 1 , 1c , 2 and 2c were characterized in previous literature reports [34,35,36,44,45], the focus of this contribution is a comparative study on the influence of those different amino substituents on the structural and energetic properties. Thus, for the sake of comparison, it was necessary to fully characterize these selected nitroazoles containing C -amino or N -amino groups and their energetic properties using the same methods and standards.…”

Section: Introductionmentioning

confidence: 99%

Amination of Nitroazoles — A Comparative Study of Structural and Energetic Properties

Zhao

Zhang

et al. 2014

Molecules

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Abstract:In this work, 3-nitro-1H-1,2,4-triazole (1) and 3,5-dinitro-1H-pyrazole (2) were C-aminated and N-aminated using different amination agents, yielding their respective C-amino and N-amino products. All compounds were fully characterized by NMR ( 1 H, 13 C, 15 N), IR spectroscopy, differential scanning calorimetry (DSC). X-ray crystallographic measurements were performed and delivered insight into structural characteristics as well as inter-and intramolecular interactions of the products. Their impact sensitivities were measured by using standard BAM fallhammer techniques and their explosive performances were computed using the EXPLO 5.05 program. A comparative study on the influence of those different amino substituents on the structural and energetic properties (such as density, stability, heat of formation, detonation performance) is presented. The results showed that the incorporation of an N-amino group into a nitroazole ring can improve nitrogen content, heat of formation and impact sensitivity, while the introduction of a C-amino group can enhance density, detonation velocity and pressure. The potential of N-amino and C-amino moieties for the design of next generation energetic materials is explored.

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Structure of 3-amino-5-nitro-1,2,4-triazole

Cited by 34 publications

References 0 publications

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

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

Synthesis and reactivity of an unexpected highly sensitive 1-carboxymethyl-3-diazonio-5-nitrimino-1,2,4-triazole

Amination of Nitroazoles — A Comparative Study of Structural and Energetic Properties

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