The increasing adoption of hydrogen as a clean energy carrier underscores the critical need to address safety concerns associated with its use, particularly the risks of explosions and detonation. Chemical inhibition, using compounds that suppress radical chain reactions, has emerged as a promising approach. However, conventional halogenated inhibitors, such as CF3Br and CF3I, are either environmentally harmful or toxic, limiting their practical applications. The current work explores the efficacy of organophosphorus compounds as alternatives to halogenated inhibitors for detonation inhibition in hydrogen-air mixtures. The results demonstrate that TMP and DMMP are more effective inhibitors than CF3I, significantly increasing the induction length and reducing radical concentrations (H, O, and OH) through the formation of stable intermediates. An interesting behavior was observed with the addition of the inhibitors, where TMP and DMMP initially increased the detonation velocity due to their fuel content, followed by a decrease as inhibition effects dominated. The role of initial conditions was also examined, showing minimal sensitivity to pressure but a pronounced dependence on the equivalence ratio. Under ultra-lean conditions (ϕ = 0.4), TMP and DMMP acted as promoters, reducing the induction length with increasing inhibitor concentration.