2,4,6-Tris(trinitromethyl)-1,3,5-triazine

2,4,6-Tris(trinitromethyl)-1,3,5-triazine

Names
IUPAC name 2,4,6-Tris(trinitromethyl)-1,3,5-triazine
Identifiers
CAS Number	99394-63-2
3D model (Jmol)	Interactive image
ChemSpider	9664224
InChI InChI=1S/C6N12O18/c19-10(20)4(11(21)22,12(23)24)1-7-2(5(13(25)26,14(27)28)15(29)30)9-3(8-1)6(16(31)32,17(33)34)18(35)36 Key: MTNISTQLDNOGTM-UHFFFAOYSA-N InChI=1/C6N12O18/c19-10(20)4(11(21)22,12(23)24)1-7-2(5(13(25)26,14(27)28)15(29)30)9-3(8-1)6(16(31)32,17(33)34)18(35)36 Key: MTNISTQLDNOGTM-UHFFFAOYAO
SMILES O=[N+]([O-])C(c1nc(nc(n1)C([N+]([O-])=O)([N+]([O-])=O)[N+]([O-])=O)C([N+]([O-])=O)([N+]([O-])=O)[N+]([O-])=O)([N+]([O-])=O)[N+]([O-])=O
Properties
Chemical formula	C6N12O18
Molar mass	528.13 g/mol
Density	1.91 g/cm^3
Melting point	91 to 92 °C (196 to 198 °F; 364 to 365 K)
Related compounds
Related compounds	4,4’-Dinitro-3,3’-diazenofuroxan Hexanitrohexaazaisowurtzitane Heptanitrocubane Octanitrocubane
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Infobox references

2,4,6-Tris(trinitromethyl)-1,3,5-triazine is a chemical compound that is a derivative of triazine first prepared in 1995.^[1] It is synthesized by destructive nitration of 2,4,6-tricarboxyl-1,3,5-triazine. It is noteworthy for having more nitro groups than it does carbon atoms, so could be used as an oxygen source, or added to oxygen-poor explosives to increase their power.

Derivatives have been prepared by nucleophilic displacement of the nitro groups with azide and hydrazine.^[2]

References

1. "Synthesis of 2,4,6-Tris(trinitromethyl)-1,3,5-triazine", Alexey V Shastin, Tamara I Godovikova, Svetlana P Golova, Vladimir S Kuz'min, Lenor I Khmel'nitskii, Boris L Korsunskii, Mendeleev Communications; Volume 5 (1995), Number 1, Pages 17–18 Abstract
2. "Nucleophilic Substitution Reactions of 2,4,6-Tris(trinitromethyl)-1,3,5-triazine. 3. Reaction of 2,4,6-Tris(trinitromethyl)-1,3,5-triazine with Azides and Hydrazine", A. V. Shastin, T. I. Godovikova and B. L. Korsunskii. Chemistry of Heterocyclic Compounds, March 2003; 39(3): 354-356. Abstract