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Trinitrotriazine IUPAC name 2,4,6-Trinitro-1,3,5-triazine Identifiers CAS number 140218-59-3 ChemSpider 15188373 Y Jmol-3D images Image 1 Image 2 SMILES O=[N+]([O-])C1=NC([N+]([O-])=O)=NC([N+]([O-])=O)=N1 O=N(=O)c1nnnc(c1N(=O)=O)N(=O)=O InChI InChI=1S/C3N6O6/c10-7(11)1-2(8(12)13)4-6-5-3(1)9(14)15 Y Key: QHHATGLDAJAQBL-UHFFFAOYSA-N Y Properties Molecular formula C3N6O6 Molar mass 216.07  Y(what is this?)  (verify) Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa) Infobox references Trinitrotriazine, or 2,4,6-trinitro-1,3,5-triazine, is a theoretical explosive compound. Synthesis of this compound has been elusive despite its simple structure,[1][2] as conventional nitration of triazine becomes increasingly more difficult as more nitro groups are added. A successful route would more likely proceed by trimerisation of nitryl cyanide, but this precursor also has not yet been synthesised.[3] It has a perfect oxygen balance, potentially making it a very powerful explosive, though calculations predict it would be fairly unstable and inferior to the related compound 3,6-dinitro-1,2,4,5-tetrazine.[4] See also RDX (hexahydro-1,3,5-trinitro-1,3,5-triazine) References ^ G. D. Hartman, R. D. Hartman and J. E. Schwering. Tetrahedron Letters. 1983; 24: 1011. ^ M. D. Coburn, C. L. Coon, H. H. Hayden and A. R. Mitchell. Synthesis. 1986: 490. ^ Korkin AA. Bartlett RJ. Theoretical Prediction of 2,4,6-Trinitro-1,3,5-triazine (TNTA). A New, Powerful, High-Energy Density Material? Journal of the American Chemical Society. 1996; 118: 12244-12245. ^ Jinshan Li. An Ab Initio Theoretical Study of 2,4,6-Trinitro-1,3,5-Triazine, 3,6-Dinitro-1,2,4,5-Tetrazine, and 2,5,8-Trinitro-Tri-s-Triazine. Propellants, Explosives, Pyrotechnics. December 2008; 33(6):443-447. This explosives-related article is a stub. You can help Wikipedia by expanding it.v · d · e