2‐Fluoro‐1,3‐diamino‐4,6‐dinitrobenzene (ZXC‐7) and 2‐Fluoro‐1,3,5‐triamino‐4,6‐dinitrobenzene (ZXC‐8): Thermally Stable Explosives with Outstanding Properties

Abstract Two novel, thermally stable explosives, 2‐fluoro‐1,3‐diamino‐4,6‐dinitrobenzene (ZXC‐7) and 2‐fluoro‐1,3,5‐triamino‐4,6‐dinitrobenzene (ZXC‐8), are reported. These two compounds can be prepared by means of simple synthetic methods and they show outstanding properties (detonation velocity, detonation pressure, sensitivity toward mechanical stimuli, and temperature of decomposition). Their structures are very similar to that of 1,3,5‐triamino‐2,4,6‐trinitrobenzene (TATB). They were isolated and characterized by means of mass spectrometry and multinuclear ( 1 H, 13 C) NMR spectroscopy. The structure of ZXC‐7 in the crystalline state was determined by low‐temperature single‐crystal X‐ray diffraction. From the calculated standard molar enthalpy of formation (CBS‐4 M) and the densities (which were determined by a gas pycnometer), the Chapman‐Jouguet detonation properties were predicted by using the EXPLO5 V6.01 thermochemical computer code. The sensitivities of ZXC‐7 and ZXC‐8 towards impact and friction were determined.