Abstract
In this study, the relations between the toxicity and chemical structure of phenol and 16 chlorophenols from mono-chlorophenols to penta-chlorophenol (PCP) were investigated by using two kind of toxicity (IC50 value, RCR50 value) and 6 physicochemical parameters (log POW, pKa, Σσ, MIC, ΣD, mp), respectively.The increase of the chlorine atom number in chlorophenols enhanced the toxicity to activated sludge (IC50 value) and mouse liver mitochondria (RCR50 value). A good linear correlation of γ=0.964 (n=17) was observed between the log 1/IC50 and the log 1/RCR50.From the viewpoint of sensitivity, RCR50 value has proved superior to IC50 value in the order of 4 to 87 times. However, IC50 value surpassed than RCR50 value in a simple, rapid and stable method of determining the toxicity.The log 1/IC50 was closely correlated with log POW (γ=0.970), Σσ (γ=0.928), MCI (γ=0.922) and ΣD (γ=0.955), but was correlated with pKa (γ=0.736) and mp (γ=0.515). Physicochemical properties of the log 1/RCR50 were also similar to those of log 1/IC50.From these results, the close correlation was observed between toxicity of IC50 value or RCR50 value and structure-activity relations of chorophenols tested.
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