2,4-Dinitro-N-(4-nitrophenyl)aniline
Basic information
- CAS
970-76-3- Standard SMILES
O=[N+]([O-])c1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1- InChIKey
MQZAHSOZWFOSGD-UHFFFAOYSA-N- Molecular formula
- C12H8N4O6
- Average molar mass
- 304.21 g/mol
- Monoisotopic mass
- 304.04438399
Names & identifiers
- Preferred name
- 2,4-Dinitro-N-(4-nitrophenyl)aniline
- IUPAC
- 2,4-dinitro-N-(4-nitrophenyl)aniline
- English name
- 2,4-dinitro-N-(4-nitrophenyl)aniline
- Molecular formula
- C12H8N4O6
- Molecular weight
- 304.22
Names & synonyms
2,4-Dinitro-N-(4-nitrophenyl)aniline970-76-3N1-(4-nitrophenyl)-2,4-dinitroanilineAI3-01555EINECS 213-536-72,4,4'-trinitro diphenylamineCHEMBL4459184SCHEMBL31098648DTXSID20242662MQZAHSOZWFOSGD-UHFFFAOYSA-NAKOS000286060NS00042494
Show more names
4-Nitrophenyl(2,4-dinitrophenyl)amine
Benzenamine, 2,4-dinitro-N-(4-nitrophenyl)-MolPort-000-384-873, CID13774, EINECS 213-536-7, 2,4-Dinitro-N-(4-nitrophenyl)aniline, AI3-01555, OR26126, Benzenamine, 2,4-dinitro-N-(4-nitrophenyl)-, 970-76-3
Database identifiers
- CAS
970-76-3- PubChem CID
- 13774
- DTXSID
DTXSID20242662- ChEMBL
CHEMBL4459184- EC Number
- 213-536-7
- Nikkaji
- J298.573J
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 434
Physicochemical properties
- Melting point
- 186 · 186-187 °C
- Boiling point
- 491.1 · 491.1±45.0 °C(Predicted)
- Density
- 1.592 · 1.592±0.06 g/cm3(Predicted)
- pka
- -6.24 · -6.24±0.10(Predicted)
- HS Code
- 2921420090 · 2921420090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2921420090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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