(2-Nitro-phenyl)-[1,4]benzoquinone
Basic information
- CAS
105946-79-0- Standard SMILES
O=C1C=CC(=O)C(c2ccccc2[N+](=O)[O-])=C1- InChIKey
ARIXMRYIRAVZJZ-UHFFFAOYSA-N- Molecular formula
- C12H7NO4
- Average molar mass
- 229.19 g/mol
Names & identifiers
- Preferred name
- (2-Nitro-phenyl)-[1,4]benzoquinone
- IUPAC
- 2-(2-nitrophenyl)cyclohexa-2,5-diene-1,4-dione
- English name
- (o-Nitrophenyl)-p-benzoquinone
- Molecular formula
- C12H7NO4
- Molecular weight
- 229.19
Names & synonyms
105946-79-0(o-Nitrophenyl)-p-benzoquinone(2-nitro-phenyl)-[1,4]benzoquinone2-(2-nitrophenyl)cyclohexa-2,5-diene-1,4-dioneAKOS0026631682'-Nitro-[1,1'-biphenyl]-2,5-dioneDA-290012-(2-Nitrophenyl)-2,5-cyclohexadiene-1,4-dione2,5-Cyclohexadiene-1,4-dione, 2-(2-nitrophenyl)-
Database identifiers
- CAS
105946-79-0
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 430
Physicochemical properties
- Boiling point
- 423.6 · 423.6±44.0 °C(Predicted)
- Density
- 1.431 · 1.431±0.06 g/cm3(Predicted)
- solubility
- Chloroform, Dichloromethane, Ethyl Acetate
- form
- Solid
- color
- Dark Brown
Chemistry & industry
Applications
Uses(o-Nitrophenyl)-p-benzoquinone is a reactant used in the preparation of monoaryl-p-benzoquinones.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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