Hydrogen Peroxide Solvates of 2,4,6,8,10,12‐Hexanitro‐2,4,6,8,10,12‐hexaazaisowurtzitane

Two polymorphic hydrogen peroxide solvates of 2,4,6,8,10,12‐hexanitro‐2,4,6,8,10,12‐hexaazaisowurtzitane (CL‐20; wurtzitane is an alternative name to iceane) were obtained using hydrated α‐CL‐20 as a guide. These novel H2O2 solvates have high crystallographic densities (1.96 and 2.03 g cm−3, respectively), high predicted detonation velocities/pressures (with one solvate performing better than ϵ‐CL‐20), and a sensitivity similar to that of ϵ‐CL‐20. The use of hydrated materials as a guide will be important in the development of other energetic materials with hydrogen peroxide. These solvates represent an area of energetic materials that has yet to be explored.