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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 disadvantage of 2,4,6-trinitro-resorcinol (LTNR) is the high electrostatic induction and the harmful effects of lead on the human body and the environment. In order to find an alternative to LTNR, 4-dinitro-7-oxo-benzofuranoxalone monohydrate (KDNP · H 2 O) was synthesized by a two-step method. The single crystals of this compound were obtained by solvent evaporation. Its structure was characterized by elemental analysis, infrared spectroscopy, 1HNMR spectroscopy and single crystal X-ray diffraction. According to the national military standard GJB-5891 tested its sensitivity, calculated burst heat. The detonation parameters of the compound were calculated according to the Kamlet-Jacobs equation. The results show that the crystal is triclinic with space group P-1 and a crystal water. The impact sensitivity of the primer was 21.3 cm, electrostatic susceptibility was 0.69 J, friction sensitivity was 56%, flame sensitivity was 24.7 cm, detonation heat was 3.50 kJ · kg -1, detonation velocity was 6.77 km · s ~ (- 1), and the burst pressure is 21.25 GPa. It shows that KDNP · H_2O is a lead-free safe and environment-friendly detonator.