A NOVEL HIGH ENERGY DENSITY MATERIAL COMPOUND 3,4-BIS(NITROFURAZANO)FUROXAN : SYNTHESIS, CHARACTERIZATION AND PROPERTIES

摘要

A novel high energy density material compound 3,4 - bis (nitrofurazano) furoxan (BNFF) was synthesized using 1,3-dicyanopropane as initial material through four steps and three intermediates, 3-amino-4-acylaminoximinofurazan (AAOF), 3-amino-4-acylchloroximinofurazan (ACOF) and 3,4-bis (aminofurazano) furoxan (BAFF). During synthesizing BNFF, we found an organic compound possessing a new chemical molecular structure, the isomer of BAFF, named by 3,6-bis (3-aminofurazan4-yl)-1, 4-dioxa-2,5-diazacyclohexa-2,5-diyne (BADDD). The crystal structures of BNFF and the intermediates were characterized by 4-circle single crystal X-ray diffraction.The synthetic process of BNFF was discussed at length, and a synthetic reaction mechanism deduced according to relative theory has been put forward. This paper also reports the experimental properties of AAOF, ACOF, BAFF, BADDD and BNFF such as melting point, 5s explosion point temperature, and sensitivity (friction, impact and electrostatic spark). Quantum chemistry and BKW calculations were conducted on them, too. The theoretical and experimental studies show that BNFF is a novel high energy density material compound with its energy some higher than that of HMX, approaching that of CL-20 and mechanical sensitivity some lower than that of HMX, and the intermediates AAOF, ACOF, BAFF and BADDD have explosive properties, and especially, BAFF is a typically low sensitivity high explosive.