Basic information
- CAS
970-91-2- Standard SMILES
O=[N+]([O-])c1cccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1- InChIKey
BODVHYWDNZZHID-UHFFFAOYSA-N- Molecular formula
- C12H8N4O6
- Average molar mass
- 304.21 g/mol
- Monoisotopic mass
- 304.04438399
Names & identifiers
- Preferred name
- 2,4-Dinitro-N-(3-nitrophenyl)aniline
- IUPAC
- 2,4-dinitro-N-(3-nitrophenyl)aniline
- English name
- (2,4-dinitrophenyl)(3-nitrophenyl)amine
- Molecular formula
- C12H8N4O6
- Molecular weight
- 304.22
Names & synonyms
2,4-Dinitro-N-(3-nitrophenyl)aniline970-91-22,4-DINITRO-N-(3-NITROPHENYL)BENZENAMINE(2,4-dinitrophenyl)(3-nitrophenyl)amine2,3',4-TrinitrodiphenylamineCHEMBL4543060DTXSID80242663BODVHYWDNZZHID-UHFFFAOYSA-NSTK024738AKOS0002859892,4-Dinitro-N-(3-nitrophenyl)aniline #ST45040321
Show more names
Benzenamine, 2,4-dinitro-N-(3-nitrophenyl)-
SR-01000202554SR-01000202554-1
Database identifiers
- CAS
970-91-2- PubChem CID
- 13775
- DTXSID
DTXSID80242663- ChEMBL
CHEMBL4543060- Nikkaji
- J1.429.829K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 442
Physicochemical properties
- Boiling point
- 468.5 · 468.5±45.0 °C(Predicted)
- Density
- 1.592 · 1.592±0.06 g/cm3(Predicted)
- pka
- -6.08 · -6.08±0.10(Predicted)
Chemistry & industry
Suppliers1 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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