Synthesis, identification, chiral separation and crystal structure of (3,4,7,8)-3,4,7,8-tetrachlorodecane and its stereoisomers.

Chlorinated paraffins (CPs) are a notoriously known class of compounds that stand amongst the most wide-spread persistent organic pollutants. Therefore, their reliable, repeatable, and reproducible quantitative analysis using well-defined reference standards is of utmost importance. In view of the increasing demand for constitutionally and stereochemically defined CP standards, we have synthesized a stereoisomeric mixture of 3,4,7,8-tetrachlorodecane.

Nuclear magnetic resonance as a tool to determine chlorine percentage of chlorinated paraffin mixtures.

A new simple method for chlorine percentage calculations (method C), from proton nuclear magnetic resonance (H NMR) spectroscopy, has been established and applied to an industrial chlorinated paraffin (CP) mixture and 13 single-chain CPs of known carbon chain lengths. Two modified methods (method A and B), originating from the work of Sprengel et al., have been utilized on the same single-chain mixtures.