2,2',4,4',6,6'-Hexanitroazobenzene
Basic information
- CAS
19159-68-3- Standard SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(N=Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1- InChIKey
PSDIVOYKWCKHLG-UHFFFAOYSA-N- Molecular formula
- C12H4N8O12
- Average molar mass
- 452.21 g/mol
- Monoisotopic mass
- 451.99486759
Names & identifiers
- Preferred name
- 2,2',4,4',6,6'-Hexanitroazobenzene
- IUPAC
- bis(2,4,6-trinitrophenyl)diazene
- English name
- 2,2',4,4',6,6'-hexanitroazobenzene
- Molecular formula
- C12H4N8O12
- Molecular weight
- 452.21
Names & synonyms
2,2',4,4',6,6'-HexanitroazobenzeneHexanitroazoxy benzeneEINECS 242-850-7Diazene, 1,2-bis(2,4,6-trinitrophenyl)-RefChem:440006Diazene, bis(2,4,6trinitrophenyl)2,2',4,4',6,6'Hexanitroazobenzene242-850-7Diazene, bis(2,4,6-trinitrophenyl)-19159-68-3bis(2,4,6-trinitrophenyl)diazeneHexanitroazoxy benzene [Forbidden]
Show more names
HNAB
SCHEMBL8022143SCHEMBL8022146DTXSID0066458PSDIVOYKWCKHLG-UHFFFAOYSA-NNS00026248
Database identifiers
- CAS
19159-68-3- PubChem CID
- 519640
- DTXSID
DTXSID0066458- EC Number
- 242-850-7
- Nikkaji
- J224.868I
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 300 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 2
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 716
Experimental & physicochemical properties
Chemical ClassesOther Uses -> Explosives
Physicochemical properties
- Melting point
- 219.7 °C · 219.7 °C
- Boiling point
- 699.516 · 699.516±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.77 g/cm³ · 1.77 g/cm³
- EPA Substance Registry System
- Diazene, bis(2,4,6-trinitrophenyl)- (19159-68-3)
- RIDADR
- 473 · 0473
- TSCA
- TSCA listed
- HazardClass
- 1.1 A · 1.1A
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
Hexanitroazoxy benzene
Forbidden explosives/materials (49 eCFR § 173.54/§ 173.21)
Safety data
- tsca
- TSCA listed
- ridadr
- 0473
- hazard_class
- 1.1A
Chemistry & industry
Uses & manufacturing
UsesTransport of Hexanitroazoxy benzene is forbidden. [DOT Forbidden]
General Manufacturing InformationDiazene, 1,2-bis(2,4,6-trinitrophenyl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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