1-((Cyano-1-methylethyl) azo) formamide (CABN) is an azo initiator that has the inherent property of being decomposed at high temperatures with considerable amounts of heat generated. The thermal hazard of CABN is the main consideration in the occurrence of serious accidents. In this study, differential scanning calorimetry (DSC) was used to obtain the heat flow profiles and thermodynamic parameters of pure and impure CABN at various heating rates. The gaseous products and decomposition residues corresponding to each mass loss stage of CABN were judged by a thermogravimetry-mass spectrometer (TG-MS) and infrared spectrometer (IR). The optimal thermal decomposition reaction path of CABN was simulated and determined by the Gaussian software. The Materials Studio software was used to simulate the front-line orbits and energy gaps of CABN and its mixture to determine the influence of impurities on the thermal stability of CABN. Above results showed that the addition of the impurities caused an increased thermal decomposition risk of CABN. N₂, CO, CO₂, CH₄N₂O, 2-aminoisobutyronitrile, and isobutyronitrile were the potential products as a result of the thermal decomposition of CABN. The results of this study are expected to provide the fundamentals for safely handling CABN in preparation, production, transportation, and storage purposes.

1-((Cyano-1-methylethyl) azo) 甲酰胺 (CABN) 是一种偶氮引发剂，它具有在高温下分解并产生大量热量的固有特性。CABN的热危害是严重事故发生的主要考虑因素。在这项研究中，差示扫描量热法 (DSC) 用于获得纯和不纯 CABN 在不同加热速率下的热流分布和热力学参数。采用热重-质谱仪（TG-MS）和红外光谱仪（IR）对CABN各失重阶段对应的气态产物和分解残留物进行判断。通过Gaussian软件模拟确定了CABN的最佳热分解反应路径。使用 Materials Studio 软件模拟 CABN 及其混合物的前线轨道和能隙，以确定杂质对 CABN 热稳定性的影响。以上结果表明，杂质的加入会增加 CABN 的热分解风险。N₂、CO、CO ₂、CH ₄ N ₂ O、2-氨基异丁腈和异丁腈是CABN热分解的潜在产物。这项研究的结果有望为在制备、生产、运输和储存目的中安全处理 CABN 提供基础。