Chemical 4-amino-2-nitro-phenol

Among the chemicals which have been shown to be mutagens in Salmonella (as well as other short-term tests) that have recently been shown to be carcinogens are 1,2-dichloroethane (10 x 109 Ibs/year, U.S.), tris-dibromopropyl phosphate (the flame retardant used in children s polyester sleepwear), sulfallate (a pesticide), o-phenylene-diamine, 2,4-diaminoanisole (hair dye ingredient), 2-nitro-p-phenylenediamine (hair dye ingredient), and 4-amino-2-nitro-phenol (hair dye ingredient). 

Chlorobenzoate, 3-methyl-4-nitro-phenol, and the detergents sodium lauryl sulfate and Tween 80 had increased toxicity with the addition of calcium and EDTA. No correlation between the structure of the chemical and the effect of EDTA and calcium could be ascertained. For example, streptomycin and neomycin are bofli amino glycoside antibiotics. Calcium and EDTA did not affect the toxicity of Streptomycin but nearly eliminated the toxicity of Neomycin. 

Nitro alcohols are nonaromatic compounds containing both -OH and -N02 groups. A typical example of such a compound is 2-nitro-l-butanol, shown below. These compounds are used in chemical synthesis to introduce nitro functional groups or (after reduction) amino groups onto molecules. They tend to have low volatilities and moderate toxicities. The aromatic nitrophenol, / -nitrophenol, is an industrially important compound with toxicological properties resembling those of phenol and nitrobenzene. 

The chemical information available through LFER is primarily the reaction constant p, but this value depends upon the substituent constants selected for the construction of the LFER. The u values available are ct, ct", ct" or and Ui, these quantities are listed, for many substituents, in Tables 7-1, 7-3, 7-4, 7-6, and 7-7. A reasonable approach is to plot log k against the substituent constant defined by a standard reaction that is expected to be most like the reaction under study. It is also reasonable to plot log k against several of the ct quantities, seeking the best correlation. [In choosing between two types of substituent constants, it is necessary to make use of substituents for which the two scales (say ct and rr, for example) are not themselves correlated, for otherwise both LFERs will be acceptable. ] The ct or o constants should be applicable to reactions that do not combine reaction sites and para substituents of the + and — type (push-pull systems capable of through resonance) for example, one would not expect ct" or o to provide good correlations for reactions of phenols or anilines substituted with nitro or cyano or for reactions of benzoic acids substituted with amino or methoxy. 

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