Basic information
- CAS
32654-60-7- Standard SMILES
Nc1c([N+](=O)[O-])cc(O)cc1[N+](=O)[O-]- InChIKey
VUOZSTWVALBKBB-UHFFFAOYSA-N- Molecular formula
- C6H5N3O5
- Average molar mass
- 199.12 g/mol
- Monoisotopic mass
- 199.02292027
Names & identifiers
- Preferred name
- 3,5-Dinitro-4-aminophenol
- IUPAC
- 4-amino-3,5-dinitrophenol
- English name
- 3,5-Dinitro-4-aminophenol
- Molecular formula
- C6H5N3O5
- Molecular weight
- 199.12
Names & synonyms
3,5-Dinitro-4-aminophenol32654-60-74-amino-3,5-dinitrophenolNSC400379SCHEMBL10933827DTXSID80398336NSC-400379DB-261968Phenol, 4-amino-3,5-dinitro-
Database identifiers
- CAS
32654-60-7- PubChem CID
- 3975869
- DTXSID
DTXSID80398336- Nikkaji
- J88.816H
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Melting point
- 230 °C · 230 °C
- Boiling point
- 429.4 · 429.4±45.0 °C(Predicted)
- Density
- 1.749 · 1.749±0.06 g/cm3(Predicted)
- pka
- 7.58 · 7.58±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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