TOXICOLOGY OF PESTICIDES

ABOUT STRUCTURE AND TOXICITY OF SOME HETEROCYCLIC INHIBITORS OF NITRIFICATION

Yu.A. Bouniatyan

The series of electronic parameters of molecules with pyrazole, triazole and pyridine structure as nitrification inhibitors (NI) in the sequel of quantochemical calculations by MNDO method have been obtained. The most interest of this problem represents the electronic density of atoms as well as bond sequence and valencity.

It have been established that the expressed electrophylity of heterocycle bring to more toxicity of substance and, on the contrary, the expressed nucleophylity of heteroatoms with "pyridinic" nature (pyridines, azoles, triazoles) bring to more higher power of desactivation as seques of quaternization and to lower toxicity.

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