2,4,6-Triazido-1,3,5-triazine
Basic information
- CAS
5637-83-2- Standard SMILES
[N-]=[N+]=Nc1nc(N=[N+]=[N-])nc(N=[N+]=[N-])n1- InChIKey
JKYMSKUDZIJFKI-UHFFFAOYSA-N- Molecular formula
- C3N12
- Average molar mass
- 204.11 g/mol
- Monoisotopic mass
- 204.03688805
Overview
structure in first source
Names & identifiers
- Preferred name
- 2,4,6-Triazido-1,3,5-triazine
- IUPAC
- 2,4,6-triazido-1,3,5-triazine
- English name
- 2,4,6-Triazido-s-triazine
- Molecular formula
- C3N12
- Molecular weight
- 204.11
Names & synonyms
Cyanuric triazide2,4,6-Triazido-1,3,5-triazine5637-83-2s-Triazine, 2,4,6-triazido-P5JCR9JM711,3,5-Triazine, 2,4,6-triazido-NSC-518308DTXSID40971806TATA cpdRefChem:129130DTXCID20909324NSC 518308
Show more names
S-triazine 2,4,6-triazido2,4,6-Triazido-s-triazine
UNII-P5JCR9JM71s-Triazine,4,6-triazido-Cyanuric triazide [Forbidden]SCHEMBL168522272,6-Triazido-1,3,5-triazineS-triazine, 2,4,6-triazido-,1,5-Triazine, 2,4,6-triazido-NSC518308
Database identifiers
- CAS
5637-83-2- PubChem CID
- 21857
- DTXSID
DTXSID40971806- UNII
- P5JCR9JM71
- Nikkaji
- J91.048A
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 284
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Physicochemical properties
- Boiling point
- 351.74 °C · 351.74°C (rough estimate)
- Density
- 2.2785 · 2.2785 (estimate)
- refractive index
- 1.4 · 1.4000 (estimate)
- FDA UNII
- 5 JCR9JM71 · P5JCR9JM71
- EPA Substance Registry System
- Cyanuric triazide (5637-83-2)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
DOT Hazard Classification
Cyanuric triazide
Forbidden explosives/materials (49 eCFR § 173.54/§ 173.21)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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