4,5-Dinitro-1-methylimidazole (4,5-MDNI), a low melting point explosive: synthesis and studies on thermal behavior

Lian, Peng; Xiao, Yun; Chen, Jun; Gong, L.; Chen, Lizhen; Wang, Jianlong

doi:10.1080/07370652.2021.2006360

Journal of Energetic Materials

2021

DOI: 10.1080/07370652.2021.2006360

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4,5-Dinitro-1-methylimidazole (4,5-MDNI), a low melting point explosive: synthesis and studies on thermal behavior

Peng Lian

Yun Xiao²,

Jun Chen³

et al.

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Cited by 3 publications

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CL‐20/4,5‐MDNI crystal growth and morphology under different conditions: A molecular dynamics simulation

Zhou,

Song,

et al. 2024

J Chinese Chemical Soc

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CL‐20/4,5‐MDNI exists in two cocrystal forms with different stoichiometric ratios of 1:1 and 1:3. The properties (such as blast performance, thermal performance, sensitivity, and density) of the two cocrystals are significantly different, but both cocrystals are expected to become new high‐energy insensitive explosives and have good applications. The AE model and molecular dynamics were used to simulate the crystal morphology and important crystal planes of 1:1 and 1:3 CL‐20/4,5‐MDNI under vacuum conditions, as well as in five solvents and different temperatures. 1:1 CL‐20/4,5‐MDNI has five main growth crystal planes of (002), (102), (111), (020) and (021), of which (002) has the largest proportion. 1:3 CL‐20/4,5‐MDNI has six main growth crystal planes of (001), (010), (011), (100), (101) and (111), of which (001) accounts for the largest proportion. The crystal morphology aspect ratio of 1:3 CL‐20/4,5‐MDNI in acetonitrile and 1:1 CL‐20/4,5‐MDNI in methanol are 1.936 and 1.680, respectively. The results were consistent with the experiments, which has certain guiding significance for CL‐20/4,5‐MDNI to obtain a crystal morphology closer to spherical shape.

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CL‐20/4,5‐MDNI crystal growth and morphology under different conditions: A molecular dynamics simulation

Zhou,

Song,

et al. 2024

J Chinese Chemical Soc

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A high density and low sensitivity carrier explosive promising to replace TNT: 3-Bromo-5-fluoro-2,4,6-trinitroanisole

Wang,

Song,

et al. 2024

Energetic Materials Frontiers

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The crystal structure of 5-amino-1-methyl-4-nitroimidazole, C₄H₆O₂N₄

Cai

Yan

Wen

et al. 2023

Zeitschrift Für Kristallographie - New Crystal Structures

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4,5-Dinitro-1-methylimidazole (4,5-MDNI), a low melting point explosive: synthesis and studies on thermal behavior

Cited by 3 publications

References 19 publications

CL‐20/4,5‐MDNI crystal growth and morphology under different conditions: A molecular dynamics simulation

CL‐20/4,5‐MDNI crystal growth and morphology under different conditions: A molecular dynamics simulation

A high density and low sensitivity carrier explosive promising to replace TNT: 3-Bromo-5-fluoro-2,4,6-trinitroanisole

The crystal structure of 5-amino-1-methyl-4-nitroimidazole, C₄H₆O₂N₄

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4,5-Dinitro-1-methylimidazole (4,5-MDNI), a low melting point explosive: synthesis and studies on thermal behavior

Cited by 3 publications

References 19 publications

CL‐20/4,5‐MDNI crystal growth and morphology under different conditions: A molecular dynamics simulation

CL‐20/4,5‐MDNI crystal growth and morphology under different conditions: A molecular dynamics simulation

A high density and low sensitivity carrier explosive promising to replace TNT: 3-Bromo-5-fluoro-2,4,6-trinitroanisole

The crystal structure of 5-amino-1-methyl-4-nitroimidazole, C4H6O2N4

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The crystal structure of 5-amino-1-methyl-4-nitroimidazole, C₄H₆O₂N₄