A new green primary explosive, dipotassium 3,4-bis(3-dinitromethylfurazan-4-oxy)furazan (K 2 BDFOF), was synthesized via a four-step procedure including cyano addition, diazotization, N 2 O 5 nitration, and KI reduction. The compound was characterized by multinuclear NMR spectroscopy, IR spectroscopy, elemental analysis, DSC, TG/DTG as well as single crystal X-ray diffraction. X-ray diffraction studies reveal 10 an intriguing 3D framework structure. The central K ions are linked by dinitromethanide anions to give a 1D spiral chain with parallelogram-like repeat units, and these 1D chains are further linked by one oxygen atom in the nitro group coordinated with K ion to form a two-dimensional wave-like layer structure. Additionally the kinetic parameters of the exothermic process for K 2 BDFOF were studied by Kissinger's and Ozawa-Doyle's methods. The sensitivities were determined by standardised impact and 15 friction tests, and the heat of formation was calculated with the atomization method at the CBS-4M level of theory. With the heat of formation (-8.4 kJ mol −1 ) and the room-temperature X-ray density (2.09 g cm −3 ), impressive values for the detonation parameters such as detonation velocity (8431 m s −1 ) and pressure (329 kbar) were computed using the EXPLO5 program and compared to the most commonly used primary explosive lead azide as well as recently published dipotassium 1,1'-dinitramino-5,5'-20 bistetrazolate.