4,6-二硝基-7-氧-苯并氧化呋咱钾一水合物(KDNP·H_2O)的合成、晶体结构与性能

Synthesis,Crystal Structure and Properties of Potassium 7-Hydroxy-4,6-dinitrobenzofuroxan Monohydrate(KDNP·H_2O)

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-苯并氧化呋咱钾一水合物(KDNP·H_2O)。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·kg^(-1),爆速为6.77 km·s^(-1)、爆压为21.25 GPa,显示KDNP·H_2O是一种无铅安全环保的起爆药。

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-oxygen- benzofuroxan 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 spectros- copy 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 （Hs0） 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.