Basic information
- CAS
605-28-7- Standard SMILES
O=C1c2ccc([N+](=O)[O-])cc2C(=O)c2cc([N+](=O)[O-])ccc21- InChIKey
XFLONXIGNOXKCG-UHFFFAOYSA-N- Molecular formula
- C14H6N2O6
- Average molar mass
- 298.21 g/mol
- Monoisotopic mass
- 298.02258592
Names & identifiers
- Preferred name
- 2,7-Dinitroanthraquinone
- IUPAC
- 2,7-dinitroanthracene-9,10-dione
- English name
- 2,7-dinitroanthraquinone
- Molecular formula
- C14H6N2O6
- Molecular weight
- 298.21
Names & synonyms
2,7-Dinitroanthraquinone2,7-dinitroanthracene-9,10-dione605-28-7EINECS 210-084-22,7- DinitroanthrachinonCHEMBL493255SCHEMBL2772220DTXSID00209233MFCD00032964PD180223SY254122NS00034378
Show more names
2,7-Dinitro-9,10-anthraquinone2,7-Dinitro-9,10-anthracenedione9,10-Anthracenedione, 2,7-dinitro-
Database identifiers
- CAS
605-28-7- PubChem CID
- 69057
- DTXSID
DTXSID00209233- ChEMBL
CHEMBL493255- EC Number
- 210-084-2
- Nikkaji
- J134.827B
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 492
Physicochemical properties
- Melting point
- 239 · 239-240 °C
- Boiling point
- 563.4 · 563.4±50.0 °C(Predicted)
- Density
- 1.631 · 1.631±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers3 total
深圳市创鑫生物科技有限公司13417589054 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
河南拉瓦锡化工产品有限公司0371-63682289 18625781376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…