Process Safety Assessment of the Entire Nitration Process of Benzotriazole Ketone

To ensure the inherent safety of fine chemical nitration processes, the nitration reaction of benzotriazole ketone was selected as the research object. The thermal decomposition and reaction characteristics of the nitration system were studied using a combination of differential scanning calorimetry (DSC), reaction calorimetry (RC1), and accelerating rate calorimetry (ARC). The results showed that the nitration product released 455.77 kJ/kg of heat upon decomposition, significantly higher than the 306.86 kJ/kg of the original material, indicating increased thermal risk. Through process hazard analysis based on GB/T 42300-2022, key parameters such as the temperature at which the time to maximum rate is 24 h under adiabatic conditions (TD24), maximum temperature of the synthesis reaction (MTSR), and maximum temperature for technical reason (MTT) were determined, and the reaction was classified as hazard level 5, suggesting a high risk of runaway and secondary explosion. Process intensification strategies were then proposed and verified by dynamic calorimetry: the adiabatic temperature increase (ΔTad) was reduced from 86.70 °C in the semi-batch reactor to 19.95 °C in the optimized continuous process, effectively improving thermal safety. These findings provide a reliable reference for the quantitative risk evaluation and safe design of nitration processes in fine chemical manufacturing.