Basic information
- CAS
29306-57-8- Standard SMILES
[N-]=[N+]=Nc1c([N+](=O)[O-])c(N=[N+]=[N-])c([N+](=O)[O-])c(N=[N+]=[N-])c1[N+](=O)[O-]- InChIKey
LIPDUIOSIFXENT-UHFFFAOYSA-N- Molecular formula
- C6N12O6
- Average molar mass
- 336.14 g/mol
- Monoisotopic mass
- 336.00637577
Overview
structure given in first source
Names & identifiers
- Preferred name
- 1,3,5-Triazido-2,4,6-trinitrobenzene
- IUPAC
- 1,3,5-triazido-2,4,6-trinitrobenzene
- English name
- 1,3,5-triazido-2,4,6-trinitrobenzene
- Molecular weight
- 0
Names & synonyms
1,3,5-TRIAZIDO-2,4,6-TRINITROBENZENETntazb29306-57-8trinitrotriazidobenzeneTNTA25NHL6Y97GBenzene, 1,3,5-triazido-2,4,6-trinitro-DTXSID30183552RefChem:72294DTXCID70106043UNII-25NHL6Y97GS-TRINITROTRIAZIDOBENZENE
Show more names
SCHEMBL16541164TRINITROTRIAZIDOBENZENE [MI]NCGC00160463-012,4,6-Trinitro-1,3,5-triazido benzene (dry)Q45456652,4,6-Trinitro-1,3,5-triazido benzene (dry) [Forbidden]
Database identifiers
- CAS
29306-57-8- PubChem CID
- 62844
- DTXSID
DTXSID30183552- UNII
- 25NHL6Y97G
- Nikkaji
- J1.509.440K
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 181 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 573
Experimental & physicochemical properties
Chemical ClassesOther Uses -> Explosives
Physical Description"Bright yellow plates from acetic acid"; [Merck Index]
Physicochemical properties
- Melting point
- 128 · 128-130° (dec)
- Density
- 1.84 · 1.84
- FDA UNII
- 25 NHL6Y97G · 25NHL6Y97G
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
Hazards SummaryExplodes after friction, impact, or rapid heating above 168 degrees C; Produces nitrogen and carbon dioxide when explodes; [Merck Index, 9731]
DOT Hazard Classification
2,4,6-Trinitro-1,3,5-triazido benzene (dry)
Forbidden explosives/materials (49 eCFR § 173.54/§ 173.21)
Chemistry & industry
Uses & manufacturing
UsesUsed in military explosives; Used as a fixative (immunofluorescent microscopy); [Merck Index]
Applications
UsesInitiator or solid rocket propellant in military explosives.
Suppliers2 total
SelectLab Chemicals GmbH+49-(0)2383-919350 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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