To solve the unwieldy problem of coal chemical wastewater reverse osmosis concentrate (ROC), a novel treatment method in which coking coal was used to adsorb the organic from ROC and the adsorption mechanism involved was investigated. The results showed that the organic components in the ROC of coal chemical industry can be effectively absorbed by the coking coal and the total organic carbon, UV₂₅₄ and chromaticity of treated ROC reduced by 70.18%, 70.15% and 59.55%, respectively, at the coking coal dosage of 80 g/L. The isothermal adsorption data were fitted to the Langmuir model well. The kinetics were expressed well by the quasi-second-order kinetic model. The intragranular diffusion model and the BET (Acronym for three scientists: Brunauer–Emmett–Teller) test showed that the adsorption occurred mainly on the surface of the coking coal and its macropores and mesopores. When the pollutants further diffused to the mesopores and micropores, the adsorption rate decreased. The result of X-ray photoelectron spectroscopy and fourier transform infrared spectroscopy spectra showed that the coking coal mainly adsorbed the nitrogen and oxygen species and the halogenated hydrocarbon organic compounds in the ROC. The chlorinated hydrocarbons and heterocyclic organics in ROC are adsorbed on the surface of coking coal.