In order to deal with biological weapons effectively, agent defeat weapons (ADWs) have been developed to destroy or neutralize the active agents in the resulting plume by releasing large amounts of strong biocides upon detonation. Based on the strategy of coupling of an energetic building block and a biocidal building block, several functional energetic materials were synthesized and fully characterized. All of the compounds have high densities (2.50-2.94 g/cm(3)), and high iodine contents (57.96 and 76.32%), making them good candidates as biocidal agents. Compounds 4 and 9 exhibit good detonation performances (4: D-v=3679 ms(-1); P=8.07 GPa and 9: D-v=4044 ms(-1); P=8.70 GPa) (CHEETAH 7) and their high iodine content suggests their promise as energetic biocides.