Naphthalene, 1,3,8-trinitro-
Basic information
- CAS
2364-46-7- Standard SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c2c([N+](=O)[O-])cccc2c1- InChIKey
BEKZHETVNVFYCV-UHFFFAOYSA-N- Molecular formula
- C10H5N3O6
- Average molar mass
- 263.16 g/mol
- Monoisotopic mass
- 263.01783489
Names & identifiers
- Preferred name
- Naphthalene, 1,3,8-trinitro-
- IUPAC
- 1,3,8-trinitronaphthalene
- English name
- 1,3,8-trinitronaphthalene
- Molecular formula
- C10H5N3O6
- Molecular weight
- 263.16
Names & synonyms
1,3,8-TrinitronaphthaleneNaphthalene, 1,3,8-trinitro-2364-46-7Naphthalene,1,3,8-trinitro-NSC270111,3,8-TrinitronaphthalenNaphthalene,3,8-trinitro-1,3,8-Trinitro-naphthalinCHEMBL167687SCHEMBL1826053SCHEMBL30503606DTXSID80178312
Show more names
NSC 27011NSC-27011DS-011979InChI=1/C10H5N3O6/c14-11(15)7-4-6-2-1-3-8(12(16)17)10(6)9(5-7)13(18)19/h1-5
Database identifiers
- CAS
2364-46-7- PubChem CID
- 75392
- DTXSID
DTXSID80178312- ChEMBL
CHEMBL167687- Nikkaji
- J134.714D
Properties
Computed structural properties
- XLogP
- 2.3
- 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
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP2.3
Physicochemical properties
- Melting point
- 216.5 · 216.5-217.5 °C
- Boiling point
- 406.41 °C · 406.41°C (rough estimate)
- Density
- 1.5737 · 1.5737 (rough estimate)
- refractive index
- 1.483 · 1.4830 (estimate)
- Water Solubility
- 18 mg/L · 18mg/L(15 ºC)
- RIDADR
- 217 · 0217
- HazardClass
- 1.1 D · 1.1D
- PackingGroup
- II
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
- packing_group
- II
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Related reactions
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Compound notes
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