Basic information
- CAS
63978-89-2- Standard SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c2c([N+](=O)[O-])cccc2c1O- InChIKey
LDPULBMOCMQAOT-UHFFFAOYSA-N- Molecular formula
- C10H5N3O7
- Average molar mass
- 279.16 g/mol
- Monoisotopic mass
- 279.01274951
Names & identifiers
- Preferred name
- 1-Naphthol, 2,4,5-trinitro-
- IUPAC
- 2,4,5-trinitronaphthalen-1-ol
- English name
- naphthopicric acid
- Molecular formula
- C10H5N3O7
- Molecular weight
- 279.16
Names & synonyms
2,4,5-Trinitro-1-naphthol1-NAPHTHOL, 2,4,5-TRINITRO-BRN 25685032,4,5-Trinitro-1-naftol [Czech]2,4,5-Trinitro-1-naftol63978-89-2DTXSID502138204-06-00-04241 (Beilstein Handbook Reference)RefChem:232363DTXCID801363112,4,5-trinitronaphthalen-1-olnaphthopicric acid
Show more names
1-Naphthalenol, 2,4,6-trinitro-
Database identifiers
- CAS
63978-89-2- PubChem CID
- 45865
- DTXSID
DTXSID50213820- Nikkaji
- J61.689C
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 426
Physicochemical properties
- Melting point
- 155.5 · 155.5-157.0 °C
- Boiling point
- 495.433 · 495.433±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.772 · 1.772±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.175 · 1.175±0.50(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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