Abstract: In order to study the chemical structure and composition characteristics of tectonic coal, the authors collected primary structure coal and tectonic coals ( cataclastic coal, granulated coal, mylonitic coal) from underground Sihe Mine in Qinshui Basin. After organic solvent extraction of four coal samples, microcrystalline str ucture parameters of coal samples were analyzed with modern technology ( NMR, XRD, FTIR) . The results showed that micro-chemical composition features, macromo lecular structure arrangement and the main functional groups composition were different with primary structure coal. The paper revealed mylonitic coal had the highest ordering degree, its evolution degree was ahead of primary structure coal. And in this process, the hydrogen bond fell off, the content of methane gas increased, aliphat ic hydrocarbons content decreased, the aryl group polycondensation degree increased. Meanwhile, the paper revealed from microscopic view that mylonitic coal develo ped area was proned to coal and gas outburst.