Basic information
- CAS
105836-99-5- Standard SMILES
O=[N+]([O-])c1ccc2nc3c([N+](=O)[O-])cccc3nc2c1- InChIKey
XVHUXSNDANREND-UHFFFAOYSA-N- Molecular formula
- C12H6N4O4
- Average molar mass
- 270.2 g/mol
- Monoisotopic mass
- 270.03890469
Names & identifiers
- Preferred name
- Phenazine, 1,7-dinitro-
- IUPAC
- 1,7-dinitrophenazine
- English name
- 1,7-Dinitrophenazine
- Molecular formula
- C12H6N4O4
- Molecular weight
- 270.2
Names & synonyms
1,7-DinitrophenazinePhenazine, 1,7-dinitro-105836-99-5CCRIS 3017DTXSID80147361RefChem:368611DTXCID8069852
Database identifiers
- CAS
105836-99-5- PubChem CID
- 149708
- DTXSID
DTXSID80147361
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 407
Physicochemical properties
- Boiling point
- 413.32 °C · 413.32°C (rough estimate)
- Density
- 1.4177 · 1.4177 (rough estimate)
- refractive index
- 1.6081 · 1.6081 (estimate)
- pka
- -5 · -5.00±0.30(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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