Basic information
- CAS
28995-89-3- Standard SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2c1- InChIKey
BFMBQYIQQLBGJA-UHFFFAOYSA-N- Molecular formula
- C10H4N4O8
- Average molar mass
- 308.16 g/mol
- Monoisotopic mass
- 308.0029131
Names & identifiers
- Preferred name
- 1,3,6,8-Tetranitronaphthalene
- IUPAC
- 1,3,6,8-tetranitronaphthalene
- English name
- 1，3，6，8-Tetranitronaphthalene
- Molecular formula
- C10H4N4O8
- Molecular weight
- 308.16
Names & synonyms
1,3,6,8-TetranitronaphthaleneNAPHTHALENE, 1,3,6,8-TETRANITRO-CCRIS 5345BRN 2340485DTXSID10752244-05-00-01683 (Beilstein Handbook Reference)RefChem:217562DTXCID4037904BFMBQYIQQLBGJA-UHFFFAOYSA-N28995-89-3CHEMBL164390SCHEMBL2825979
Show more names
TNNTNW1，3，6，8-Tetranitronaphthalene
Database identifiers
- CAS
28995-89-3- PubChem CID
- 34385
- DTXSID
DTXSID1075224- ChEMBL
CHEMBL164390- Nikkaji
- J134.778K
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 459
Physicochemical properties
- Melting point
- 207 °C · 207°C
- Boiling point
- 448.57 °C · 448.57°C (rough estimate)
- Density
- 1.64 · 1.6400
- refractive index
- 1.63 · 1.6300 (estimate)
- EPA Substance Registry System
- 1 · Naphthalene, 1,3,6,8-tetranitro- (28995-89-3)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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