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Main Title Structure-Activity Relationship Studies on the Toxicities of Benzene Derivatives: 1. An Additivity Model.
Author Hall, L. H. ; Kier, L. B. ; Phipps, G. ;
CORP Author Environmental Research Lab.-Duluth, MN. ;Medical Coll. of Virginia, Richmond. ;Eastern Nazarene Coll., Quincy, MA. Dept. of Chemistry.
Year Published 1984
Report Number EPA/600/J-84/202;
Stock Number PB85-157006
Additional Subjects Toxicity ; Benzenes ; Mathematical models ; Water pollution ; Physical properties ; Fishes ; Exposure ; Dosage ; Concentration(Composition) ; Water analysis ; Chemical analysis ; Reprints ; Water pollution effects(Animals)
Library Call Number Additional Info Location Last
NTIS  PB85-157006 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 14p
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. The authors have determined the additive contribution to several substituent groups. They 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. (Copyright (c) 1984 SETAC.)