Batch experiments were conducted in the system to investigate the factors affecting the removal of dinitrotoluene sulfonates (DNTS), including nanoscale zero-valent iron (NZVI) dosage, initial concentration of DNTS, initial pH value of solution and ultrasonication and drying process of NZVI. The removal efficiencies of DNTS increased with the rising of weight ratio of NZVI and DNTS, when the reduction capacity of NZVI was decreasing. When initial pH ranged from 1 to 10, the removal decreased little, however, the pseudo-first-order rate constants decreased almost linearly with initial pH. In addition, DNTS was more likely removed by adsorption and co-precipitation effect than reduction of NZVI at alkaline condition. After undergoing drying process, the reaction activity of prepared NZVI particles decreased by 2/3 compared with fresh ones owing to partly oxidation of NZVI. Ultrasonication was helpful for breaking agglomerate NZVI clusters into small NZVI particles and denuding the Fe0 in the core of the particles and ultimately improving the reactivity. Time-dependent removal of DNTS revealed that 2,4-DNT-5-SO3Na(H) was easier reduced than 2,4-DNT-3-SO3Na(H).