Abstract: Polycyclic aromatic hydrocarbons (PAHs) are a typical class of persistent toxic substances, and the reports on their derivatives are still limited. In this study, 16 parent polycyclic aromatic hydrocarbons (P-PAHs), 12 alkyl polycyclic aromatic hydrocarbons (A-PAHs) and 10 nitro polycyclic aromatic hydrocarbons (N-PAHs) were observed in the surface sediments of the Yangtze River estuary-Hangzhou Bay and its coastal waters hydrocarbons (N-PAHs). The results showed that the average concentrations of 16 parent polycyclic aromatic hydrocarbons (∑₁₆P-PAHs), 12 alkyl polycyclic aromatic hydrocarbons (∑₁₂A-PAHs) and 10 nitropolycyclic aromatic hydrocarbons (∑₁₀N-PAHs) in the surface sediments were 108 ng/g (dw, dry weight), 24.2 ng/g (dw) and 7.02 ng/g (dw), respectively. The average concentrations of columnar sediments ranged from 28.9−252 ng/g (dw), 8.13−28.5 ng/g (dw) and 2.94−13.5 ng/g (dw), respectively, and the ∑₁₆P-PAHs and ∑₁₂A-PAHs showed an increasing trend with the increase of age. The pollution patterns and characteristic ratios of PAHs and their derivatives show that the PAHs in the surface sediments of the Yangtze River estuary and coastal waters mainly come from fossil combustion, but the surrounding ports and shipping operations may increase the environmental risk caused by petroleum leakage to a certain extent.