Basic information
- CAS
56698-05-6- Standard SMILES
O=[N+]([O-])c1ccc(Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])cc1- InChIKey
UYOBTECBBHWNJV-UHFFFAOYSA-N- Molecular formula
- C12H8N4O6
- Average molar mass
- 304.21 g/mol
- Monoisotopic mass
- 304.04438399
Names & identifiers
- Preferred name
- 2,6-Dinitro-N-(4-nitrophenyl)aniline
- IUPAC
- 2,6-dinitro-N-(4-nitrophenyl)aniline
- English name
- 2,6-dinitro-N-(4-nitrophenyl)aniline
- Molecular formula
- C12H8N4O6
- Molecular weight
- 304.22
Names & synonyms
2,6-Dinitro-N-(4-nitrophenyl)aniline56698-05-6EINECS 260-344-4DTXSID20205252UYOBTECBBHWNJV-UHFFFAOYSA-NDB-313198NS000335672,6-Dinitro-N-(4-nitrophenyl)benzenamineBenzenamine, 2,6-dinitro-N-(4-nitrophenyl)-
Database identifiers
- CAS
56698-05-6- PubChem CID
- 92501
- DTXSID
DTXSID20205252- EC Number
- 260-344-4
- Nikkaji
- J267.090I
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 412
Physicochemical properties
- Boiling point
- 463 · 463.0±45.0 °C(Predicted)
- Density
- 1.592 · 1.592±0.06 g/cm3(Predicted)
- pka
- -10.95 · -10.95±0.50(Predicted)
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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