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含能材料  2011 

1-氯-1,1-二硝基-2-(N-氯脒基)乙烷的合成、表征和晶体结构

DOI: 10.3969/j.issn.1006-9941.2011.03.001

Keywords: 物理化学,晶体结构,1,1-二氨基-2,2-二硝基乙烯(FOX-7),1-氯-1,1-二硝基-2-(N-氯脒基)乙烷,合成,亲电取代反应

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Abstract:

采用高锰酸钾/盐酸体系氧化氨基的方法获得了1-氯-1,1-二硝基-2-(N-氯脒基)乙烷,收率为70%,用核磁、红外、质谱、元素分析等方法对该产物进行了结构表征。以二氯甲烷为溶剂制备出了其单晶,用X射线单晶衍射仪测定了晶体结构。结果表明,该化合物的分子式为C2H2Cl2N4O4,相对分子质量为216.98,该晶体为正交晶系,属Pbcn空间群,晶体学参数为:a=0.9940(17)nm,b=1.0628(19)nm,c=1.4487(3)nm,V=1.5304(5)nm3,Z=8,Dc=1.883g·cm-3,F(000)=864,R1=0.0325,ωR2=0.0784。该化合物的熔点为90℃,起始分解温度为136.6℃,较1,1-二氨基-2,2-二硝基乙烯(FOX-7)有大幅度下降,表明其热稳定性较FOX-7差。

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