THEORETICAL PROPOSAL OF NEW MOLECULES TO REPLACE CHLORDANE

Chlordane was a most used as insecticide by farmers. Today, it is banned owing to its toxicity, bio-accumulative and persistence properties. Since then ¶tits prohibition has created more unexploited stocks in the environment. ¶In order still allow use of these products, we theoretically proposed new molecules derived from it. To meet this objective, have reduced number chlorine atoms chlordane molecule four. Thus, t¶he QSAR QSPR models already established made possible determine 70 proposed. ¶The analysis results allowed retain two molecules. These are (1S,2S,3R,6R,7R)-3,8,10,10-tetrachlorotricyclo[5,2,1.02,6]dec-8-ene) (1R,2R,3R,6R,7S)-3,8,7,8-tetrachloro-tricyclo[5.2.1.02,6]dec-8-ene. Both¶bothbbbbbbbggddaaa seem present best values BCF.¶¶In also verify influence fluorine on chlordane, carried out another study. In part, considered abovementioned which substitution four hydrogen made. This gave following molecules: (1R,2S,3S,4R,6R,7S)-3,8,10,10-tetrachloro-1,4,7,9-tetrafluorotricyclo[5,2,1,02,6]dec-8-ene (1S,2S,3R,4S,6S,7S)-1,3,7,8-tetrachloro-4,9,10,10-tetrafluorotricyclo[5,2,1,02,6]dec-8-ene. Both ¶both show higher BCF ​​than formers. would mean that organochlorine compounds storable. Besides, when consider fact absorbent, (1S,2S,3R,4S,6S,7S)-1,3,7,8-tetrachloro-4,9,10,10-tetrafluorotricyclo[5,2,1,02,6]dec-8-ene appear be less accumulable toxic than (1S,2S,3R,6R,7R)-3,8,10,10-tetrachlorotricyclo[5,2,1.02,6]dec-8-eneand