Novel energetic salt based on 3-nitro-5-guanidino- 1, 2, 4-oxadiazole: synthesis, structure, and thermal behavior

A novel salt 3-nitro-5-guanidino-1, 2, 4-oxadiazole chloride (NOGC) was synthesized by reacting 3-nitro-5-guanidino-1, 2, 4-oxadiazole (NOG) and hydrochloric acid. The advantages of the reaction which includes low cost and high output rate (93.2%). It was characterized by elemental analysis, FT-IR spectrum and X-ray single crystal diffraction method. Its crystal in the orthorhombic system, space group P2(1)/n with a=0.674 0(2)nm, b=0.661 8(2) nm, c=1.754 4(6) nm, V=0.776 9(4) nm³, M_r=208.58 g·mol^-1, D_c=1.783 g·cm^-3. The differential scanning calorimetry (DSC) techniques curve with a linear heating rate of 10 K·min^-1 shows that NOGC is thermally stable with one exothermic peak temperatures of 469.8 K. The kinetic parameters were obtained by non-isothermal reaction kinetics. The equation can be expressed as lnk=17.73-175.5×10³/RT. The density of NOGC is 1.783 g·cm^-3, and the heat of formation is calculated with the Gaussian 09 suite of programs. Moreover, the critical temperature of thermal explosion, ΔS^I, ΔH^I, ΔG^I and the enthalpies of formation were obtained as 445.8 K, -10.044 J·mol^-1·K^-1, 172.174 kJ·mol^-1 and 176.796 kJ·mol^-1 and -51.2 kJ·mol^-1, respectively.