Basic information
- CAS
87185-24-8- Standard SMILES
O=[N+]([O-])c1cc2cccc([N+](=O)[O-])c2cc1[N+](=O)[O-]- InChIKey
ULFPAUMLKAKADU-UHFFFAOYSA-N- Molecular formula
- C10H5N3O6
- Average molar mass
- 263.16 g/mol
- Monoisotopic mass
- 263.01783489
Names & identifiers
- Preferred name
- 2,3,5-Trinitronaphthalene
- IUPAC
- 1,6,7-trinitronaphthalene
- English name
- 2,3,5-Trinitronaphthalene
- Molecular formula
- C10H5N3O6
- Molecular weight
- 263.16
Names & synonyms
2,3,5-Trinitronaphthalene87185-24-81,6,7-trinitronaphthaleneCCRIS 5343Naphthalene, 1,6,7-trinitro-NAPHTHALENE, 2,3,5-TRINITRO-BRN 2540797CHEMBL165260ULFPAUMLKAKADU-UHFFFAOYSA-NDTXSID201007392
Database identifiers
- CAS
87185-24-8- PubChem CID
- 55653
- DTXSID
DTXSID201007392- ChEMBL
CHEMBL165260
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 398
Physicochemical properties
- RIDADR
- 217 · 0217
- HazardClass
- 1.1 D · 1.1D
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
- ridadr
- 0217
- hazard_class
- 1.1D
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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