Chemical attribution of the origin of an acutely toxic chemical is often a critical component of forensic efforts aimed at combating its clandestine manufacture. Detailed information on synthesis byproducts, reagents, and precursors that can be used to identify the method of manufacture is a frequent goal of this work. Presently, we investigate the chemical attribution signatures (CAS) associated with the synthesis of the organophosphorus nerve agent sarin, <i>O</i>-isopropyl methylphosphonofluoridate (GB). Twenty seven samples were generated from three, carefully selected synthesis methods that minimize complicated laboratory equipment and extreme reaction conditions. A combination of gas and liquid chromatographies and nuclear magnetic resonance was used to characterize in detail the sample set, which included both intermediate synthetic materials and the final products. Modern statistical techniques capable of identifying and prioritizing key CAS and revealing significant interrelationships among various intermediates and final byproducts were used to gain further insight into the underlying chemistries of GB synthesis relevant for attribution of unknown material. Extension of this data analysis towards classification of unknown, seized GB samples is discussed.

Statistical analysis of the chemical attribution signatures of crude sarin

256th National Meeting (2018)

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