Basic information
- CAS
32060-66-5- Standard SMILES
O=C1C(=O)c2cccc([N+](=O)[O-])c2-c2c1cccc2[N+](=O)[O-]- InChIKey
MKNHPRWGHGSYFI-UHFFFAOYSA-N- Molecular formula
- C14H6N2O6
- Average molar mass
- 298.21 g/mol
- Monoisotopic mass
- 298.02258592
Names & identifiers
- Preferred name
- 4,5-Dinitrophenanthrene-9,10-dione
- IUPAC
- 4,5-dinitrophenanthrene-9,10-dione
- English name
- Q196 4,5-dinitro-9,10-phenanthrenequinone
- Molecular formula
- C14H6N2O6
- Molecular weight
- 298.21
Names & synonyms
4,5-dinitrophenanthrene-9,10-dione32060-66-5DTXSID60296220RefChem:285555DTXCID602473589,10-Phenanthrenedione,4,5-dinitro-NSC108361SCHEMBL2599501CHEMBL44526324,5-dinitro-9,10-phenanthrenedioneAKOS0243411784,5-dinitro-9,10-phenanthrenequinone
Show more names
9,10-Phenanthrenedione, 4,5-dinitro-Q196 4,5-dinitro-9,10-phenanthrenequinone
NSC-108361DS-006107
Database identifiers
- CAS
32060-66-5- PubChem CID
- 268221
- DTXSID
DTXSID60296220- ChEMBL
CHEMBL4452632- Nikkaji
- J2.349.554F
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 488
Physicochemical properties
- Melting point
- 227 °C · 227 °C
- Boiling point
- 555.9 · 555.9±43.0 °C(Predicted)
- Density
- 1.631 · 1.631±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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