Trinitrotriazine

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.^[3] The precursor nitryl cyanide was first synthesized by Rahm et al. in 2014.^[4]

Trinitrotriazine

Names
Preferred IUPAC name 2,4,6-Trinitro-1,3,5-triazine
Identifiers
CAS Number	140218-59-3 N
3D model (JSmol)	Interactive image
ChemSpider	15188373 Y
PubChem CID	21997109
CompTox Dashboard (EPA)	DTXSID10621341
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
SMILES O=[N+]([O-])C1=NC([N+]([O-])=O)=NC([N+]([O-])=O)=N1
Properties
Chemical formula	C3N6O6
Molar mass	216.069 g·mol−1
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). N verify (what is YN ?) Infobox references

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.^[5]

See also

• RDX (hexahydro-1,3,5-trinitro-1,3,5-triazine)