Some chlorinated anilines are known to bond to soil. How can I tell if a novel structure is likely to do this? The information is to be used in modeling groundwater contamination.
Chlorinated phenols and anilines are transformed and detoxified in soil through oxidative coupling reactions mediated by enzymes or metal oxides. The reactions may be influenced by humic constituents, such as syringaldehyde or catechol, that originate from lignin decomposition and are also subject to oxidative coupling.
Article Effect of Humic Constituents on the Transformation of Chlori...
Article Covalent bonding of chloroanilines to humic constituents: Pa...
Dear William,
2,4,6-Trichloroaniline is one of the well-known chloroaniline derivatives that binds to soil. The following two links contain an important information regarding the presence of this compound in the soil and environment:
https://pubchem.ncbi.nlm.nih.gov/compound/2_4_6-trichloroaniline#section=Ecological-Information
http://toxnet.nlm.nih.gov/cgi-bin/sis/search/a?dbs+hsdb:@term+@DOCNO+2654
Hoping these two links will provide you some important data for building your model.
Rafik
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