CAJ | 학술논문

以3，4-二硝基吡唑（DNP）为原料，通过甲基化制备了1-甲基-3，4-二硝基吡唑（MDNP），采用熔点测定、红外光谱、核磁共振等对目标产物结构进行了表征。室温下培养了 MDNP 的单晶，用 X-射线四圆衍射仪测定了其单晶结构，用 DSC 法研究了 MDNP 的热性能，用 Kamlet 公式计算了 MDNP 的爆速和爆压。结果表明，该晶体属单斜晶系，空间群 P 21／n，晶胞参数为 a ＝0．7263 nm，b ＝1．5143 nm，c ＝1．0368 nm，V ＝1．1234 nm3，Z ＝4，D ＝1．480 g／cm3，F（000）＝520。MDNP 有良好的热稳定性，爆速和爆压分别为6．14 km／s、17．0 GPa，是具有潜在应用价值的含能材料。
이3，4-이초기필서（DNP）위원료，통과갑기화제비료1-갑기-3，4-이초기필서（MDNP），채용용점측정、홍외광보、핵자공진등대목표산물결구진행료표정。실온하배양료 MDNP 적단정，용 X-사선사원연사의측정료기단정결구，용 DSC 법연구료 MDNP 적열성능，용 Kamlet 공식계산료 MDNP 적폭속화폭압。결과표명，해정체속단사정계，공간군 P 21／n，정포삼수위 a ＝0．7263 nm，b ＝1．5143 nm，c ＝1．0368 nm，V ＝1．1234 nm3，Z ＝4，D ＝1．480 g／cm3，F（000）＝520。MDNP 유량호적열은정성，폭속화폭압분별위6．14 km／s、17．0 GPa，시구유잠재응용개치적함능재료。
1-Methyl-3,4-dinitropyrazole(MDNP)was synthesized via methylation using 3,4-dinitropyrazole(DNP) as starting material.The structure of the target product was characterized by melting point determination,IR spectrometry and nuclear magnetic resonance etc.The single crystal of MDNP is cultured at room temperature and its structure was determined by a four-circle X-ray diffractometer.The thermal performance of MDNP was studied by DSC.The detonation velocity and detonation pressure of MDNP were calculated by Kamlet formula.Results show that the crystal is monoclinic,space group P 21/n with cell parameters of a =0.7263 nm,b =1.514 3 nm,c =1.0368 nm,V = 1.123 4 nm3 ,Z = 4,D = 1.480 g/cm3 ,F (0 0 0 )= 520.MDNP has good thermal stability.The detonation velocity and detonation pressure are 6.14km/s and 17.0GPa,respectively.It is an energetic material with potential application value.