4,6-二硝基-7-氧-苯并氧化呋咱钾-水合物(KDNP·H2O)的合成、晶体结构与性能

2,4,6-三硝基间苯二酚铅(LTNR)的主要缺点是静电感度过高以及含铅对人体、环境造成危害.为了寻找LTNR的替代物,采用两步法合成了4,6-二硝基-7-氧-苯并氧化呋咱钾-水合物(KDNP·H2O).利用溶剂蒸发法获得了该化合物的单晶.利用元素分析、红外光谱法、核磁共振氢/碳谱法和单晶X-衍射对其结构进行了表征.按国军标GJB-5891测试了其感度,计算了爆热.根据Kamlet-Jacobs方程计算了该化合物的爆轰参数.结果表明,该晶体为三斜晶系,空间群为P-1,有一个结晶水.该起爆药撞击感度为21.3 cm,静电感度为0.69 J,摩擦感度为56％,火焰感度为为24.7 cm,爆热为3.50 kJ·g-1,爆速为6.77 km·s“、爆压为21.25 GPa,显示KDNP·H2O是一种无铅安全环保的起爆药.

Synthesis,Crystal Structure and Properties of Potassium 7-Hydroxy-4,6-dinitrobenzofuroxan Monohydrate(KDNP · H2O)

The main disadvantages of lead 2,4,6-trinitroresorecinate (LTNR)are too high electrostatic sensitivity and the harm to the human body and the environment caused by lead.In search of a replacement for LTNR,potassium 4,6-dinitro-7-oxygenbenzofuroxan monohydrate(KDNP · H2O)was synthesized by two-step method.The single crystal of the compoud was obtained by solvent evaporation method.Its structure was chracterized by elemental analysis,IR spectroscopy,1H NMR/13C NMR spectroscopy and X-ray single-crystal diffraction.Its sensitivities were measured according to the Chinese military standard test method GJB-5891.The heat of detonation was calculated.The detonation parameters of the compoud were calculated by Kamlet-Jacobs equations.Results show that the crystal is triclinic,space group P-1 with one crystal water.For this primary explosives,the impact sensitivity (H50) is 21.3 cm,the electrostatic sensitivity (E50) is 0.69 J,the friction sensitivity is 56％,the flame sensitivity is 24.7 cm,the heat of detonation is 3.50 kJ · g-1,the detonation velocity is 6.77 km · s-1 and detonation pressure is 21.25 GPa,revealing that KDNP · H2O is a primary explosives with lead-free,safe and environmental protection.