A quantitative structure-activity analysis was performed on a series of substituted benzenes for which toxicity values have been obtained over 96 h in the fathead minnow. We have determined the additive contribution of several substituent groups. We have found a decreasing contribution to toxicity to be Cl > Br > NO2 > CH3 > OCH3 > NH2 > OH. This additivity model, expressed as an equation, yields a correlation coefficient (r) of 0.951, compared with the log of the lethal concentration (LC50). The positional dependence of substituents on benzene has been studied, as has the relationship between the substituent toxicity ranking and physical properties.
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Hall et al. (1984) studied this question.