Abstract

AbstractThe azido‐tetrazolo tautomerizations of 3,6‐diazido‐1,2,4,5‐tetrazine (DIAT) in different solvents were investigated with HPLC and 13C NMR spectroscopy. 6‐Amino‐tetrazolo[1,5‐b]‐1,2,4,5‐tetrazine (ATTZ) was irreversibly formed as the final product by azido‐cyclization following N2 elimination from one of the azido substituents at room temperature in DMSO. The structure of ATTZ was characterized by X‐ray crystallography; differential scanning calorimetry (DSC), mass spectrometry, as well as IR and 1H NMR and 13C NMR spectroscopy. The crystal density was found to be 1.272 g cm−3. DSC result suggested that ATTZ with the melting point of 84 °C strongly decomposes with explosion at 198 °C, which can be regarded as a primary explosive.

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