Pyrrole-Derived Zwitterionic Primary Explosive: A Safer Alternative to Diazodinitrophenol (DDNP)

We report pyrrole-based zwitterionic energetic material 3-diazo-2,4-dinitropyrrole ( DDNPy ), obtained via an efficient nitration–amination–diazotization sequence. The compound exhibits remarkable thermal stability ( T d = 190 °C) and superior detonation performance ( D v = 7.94 km s –1; D p = 27.2 GPa). Crystallographic and Hirshfeld analyses reveal a compact, strongly bound lattice with balanced sensitivities. These combined attributes identify this zwitterionic molecule as a promising metal-free candidate for environmentally benign next-generation primary explosives.