In order to survey the application prospects of 2,3-bis(hydroxymethyl)-2,3-dinitro-1,4-butanediol tetranitrate (DNTN, NEST-1, SMX) in high - energy solid rocket propellants and explosives, the interactionsbetween DNTN with some energetic components and inert materials were investigated by means of differential scanning calorimetry (DSC) and molecular dynamic (MD) methods, where glycidyl azide polymer (GAP), cyclotrimethylenetrinitramine (RDX), cyclotetramethylenetetranitroamine (HMX), lead 3-nitro-1,2,4-triazol-5-onate (NTO-Pb), hexanitrohexaazaisowurtzitane (CL-20), aluminum powder (Al) and magnesium powder (Mg), 3,4-dinitrofurzanfuroxan (DNTF), N-guanylurea-dinitramide (GUDN), N-butyl-N-(2-nitroxy-ethyl)nitramine (Bu-NENA), bis(2,2-dinitropropyl) acetal (BDNPA)/bis(2,2-dinitropropyl) formal (BDNPF) mixture (A3), nitrocellulose - nitroglycerine (NC-NG) and ammonium dinitramide (ADN) were used as energetic components and hydroxyl terminated polybutadiene (HTPB), polyoxytetram ethylene-co- oxyethylene (PET), addition product of hexamethylene diisocyanate and water (N-100), 2,4-toluene diisocyanate (TDI), 1,3-dimethyl-1,3-diphenyl urea (C2), carbon black (C.B.), aluminum oxide (Al2O3), lead phthalate (φ-Pb), N-nitro-dihydroxyethylamine dinitrate (DINA), cupric 2,4-dihydroxy-benzoate (β-Cu) were used as inert materials. The impact and friction sensitivities of DNTN and DNTN in combination with energetic materials were obtained. . It was concluded that the binary systems of DNTN with RDX, HMX, NTO-Pb, Al, Mg, ADN, NC-NG, HTPB, PET, C2, C.B., β-Cu and Al2O3 are compatible, whereas systems of DNTN with GAP, CL-20, A3, N-100, TDI and DINA are slightly sensitive, and those containing DNTF and GUDN are incompatible. It is demonstrated that no consequential trend between sensitivity and compatibility is found. The mechanical properties and safety performance of GAP mixtures plasticized with three plasticizers decrease in the following order: [BTTN] > [TMETN] > [Bu-NENA].