https://www.selleckchem.com/pr....oducts/oicr-9429.htm
The concentration of primary chlorine-substituted products was about 4 times that of the dimer products, demonstrating that electrophilic substitution reaction was predominant during chlorination of 2,4-DBP. Density functional theory (DFT) based calculations revealed that HOCl is the dominant active oxidizing species for elimination of 2,4-DBP and coupling reaction occurs more easily at para and ortho position of hydroxyl group in the phenolic moiety. These findings could provide some new insights into the environmental fate of bromop