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

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Chemical compound
2,4,6-Tris(trinitromethyl)-1,3,5-triazine
2,4,6-Tris(trinitromethyl)-1,3,5-triazine
Ball-and-stick model of the 2,4,6-tris(trinitromethyl)-1,3,5-triazine molecule
Names
Preferred IUPAC name Tris(trinitromethyl)-1,3,5-triazine
Identifiers
CAS Number
3D model (JSmol)
ChemSpider
PubChem CID
CompTox Dashboard (EPA)
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)36Key: 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)36Key: MTNISTQLDNOGTM-UHFFFAOYAO
SMILES
  • O=()C(c1nc(nc(n1)C(()=O)(()=O)()=O)C(()=O)(()=O)()=O)(()=O)()=O
Properties
Chemical formula C6N12O18
Molar mass 528.132 g·mol
Density 1.91 g/cm
Melting point 91 to 92 °C (196 to 198 °F; 364 to 365 K)
Related compounds
Related compounds 4,4’-Dinitro-3,3’-diazenofuroxan
Cyanuric triazide
Hexanitrohexaazaisowurtzitane
Octanitrocubane
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). ☒N verify (what is  ?) Infobox references
Chemical compound

2,4,6-Tris(trinitromethyl)-1,3,5-triazine is a chemical compound that is a derivative of triazine first prepared in 1995. 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, thus potentially being useful 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.

References

  1. Shastin AV, Godovikova TI, Golova SP, Kuz'min VS, Khmel'nitskii LI, Korsunskii BL (1995). "Synthesis of 2,4,6-Tris(trinitromethyl)-1,3,5-triazine". Mendeleev Communications. 5: 17–18. doi:10.1070/MC1995v005n01ABEH000440.
  2. Shastin AV, Godovikova TI, Korsunskii BL (2003). "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". Chemistry of Heterocyclic Compounds. 39 (3): 354–356. doi:10.1023/A:1023970928207. S2CID 106383383.
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