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Trinitrotriazine
Sign in to saveTrinitrotriazine, 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, 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. The precursor nitryl cyanide was first synthesized by Rahm et al. in 2014.
Chemical data
- Formula
- C3N6O6
- Molecular weight
- 216.07 g/mol
- IUPAC name
- 2,4,6-trinitro-1,3,5-triazine
- SMILES
- C1(=NC(=NC(=N1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
- InChIKey
- NPNRPQIHDJKWMW-UHFFFAOYSA-N
- XLogP
- 0.5
- Polar surface area
- 176 Ų
- H-bond donors
- 0
- H-bond acceptors
- 9
- Formal charge
- 0
via PubChem
Wikidata facts
- Subclass of
- chemical compound
- Mass
- 215.98793172
Show 3 more facts
- canonical SMILES
- O=[N+]([O-])C1=NC([N+]([O-])=O)=NC([N+]([O-])=O)=N1
- chemical formula
- C₃N₆O₆
- Commons category
- Trinitrotriazine
Sources (2)
via Wikidata · CC0
~1 min read
Encyclopedic overview
2 sectionsContents
- See also
- 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, 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. The precursor nitryl cyanide was first synthesized by Rahm et al. in 2014.
Trinitrotriazine has a neutral 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.
Excerpted from Wikipedia’s “Trinitrotriazine” article, available under the CC BY-SA 4.0 licence.