2,4,6,8,10,12-Hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20) and 1,3,5,7-tetranitro-1,3,5,7-tetrazoctane (HMX) are promising cocrystal coformers, but only little solubility data are available. Knowledge about their solubility and solvate formation is essential for the development of cocrystallisation experiments. This paper provides the solubility values of HMX and CL-20 in 29 solvents at 293.15 ​K and 333.15 ​K as well as the solubility in five 2-propanol solvent mixtures at 293.15 ​K. Novel CL-20 solvates of 5-methyloxolan-2-one, 1,3-dioxolan-2-one, tetrahydrotiophene 1-oxide, 1,3-dioxolane, furan-2-carbaldehyde and butane-2,3-dione have been isolated and characterised. For all new solvates, single crystal data were obtained, except for furan-2-carbaldehyde. The novel $\vartheta$-conformation of CL-20 was observed in the tetrahydrotiophene 1-oxide solvate. It was found that none of the tested solvents and likely no existing solvent exhibits a beneficial solubility ratio of CL-20 and HMX in the tested temperature range, exceptionally good solubility ratios are most likely the result of solvate formation, and that solvate forming solvents cannot be categorically excluded from consideration as solvent for cocrystallisation of HMX and CL-20.

2,4,6,8,10,12-六硝基-2,4,6,8,10,12-六氮杂异纤锌矿型结构烷烃（CL-20）和1,3,5,7-四硝基-1,3,5,7 -四辛烷（HMX）是有前途的共晶共形体，但仅有很少的溶解度数据可用。关于它们的溶解度和溶剂化物形成的知识对于共结晶实验的发展是必不可少的。本文提供了HMX和CL-20在29种溶剂中在293.15 K和333.15 K处的溶解度值以及在5种2-丙醇混合溶剂中在293.15 K处的溶解度。新型的CL-20溶剂为5-甲基氧杂戊基-2-酮，1,3-二氧杂戊环-2-酮，四氢噻吩1氧化物，1,3-二氧戊环，呋喃-2-甲醛和丁烷-2,3-二酮孤立和表征。对于所有新的溶剂化物，除呋喃-2-甲醛外，均获得了单晶数据。小说$\vartheta$在四氢噻吩1-氧化物溶剂化物中观察到CL-20的构象。发现在测试的温度范围内，没有一种被测试的溶剂，也可能没有一种现存的溶剂显示出CL-20和HMX的有益溶解度比，极好的溶解度比很可能是形成溶剂化物的结果，而形成溶剂化物的溶剂则不能绝对不考虑作为HMX和CL-20共结晶的溶剂。