Basic information
- CAS
1604-40-6- Standard SMILES
O=C1c2ccc([N+](=O)[O-])cc2C(=O)c2ccc([N+](=O)[O-])cc21- InChIKey
OPXXCGAYBFDPHY-UHFFFAOYSA-N- Molecular formula
- C14H6N2O6
- Average molar mass
- 298.21 g/mol
- Monoisotopic mass
- 298.02258592
Names & identifiers
- Preferred name
- 2,6-Dinitroanthraquinone
- IUPAC
- 2,6-dinitroanthracene-9,10-dione
- English name
- 2,6-dinitroanthraquinone
- Molecular formula
- C14H6N2O6
- Molecular weight
- 298.21
Names & synonyms
2,6-Dinitroanthraquinone2,6-dinitroanthracene-9,10-dioneEINECS 216-511-9PVN99864LS2,6-DINITRO-9,10-ANTHRACENEDIONEDTXSID401668769,10-Anthracenedione, 2,6-dinitro-RefChem:83351DTXCID4089367216-511-91604-40-62,6-dinitroan-thraquinone
Show more names
UNII-PVN99864LSSCHEMBL11207794OPXXCGAYBFDPHY-UHFFFAOYSA-NNS00025224
Database identifiers
- CAS
1604-40-6- PubChem CID
- 74145
- DTXSID
DTXSID40166876- UNII
- PVN99864LS
- EC Number
- 216-511-9
- Nikkaji
- J195.220J
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
- 488
Physicochemical properties
- Boiling point
- 563.4 · 563.4±50.0 °C(Predicted)
- Density
- 1.631 · 1.631±0.06 g/cm3(Predicted)
- FDA UNII
- 99864 LS · PVN99864LS
Chemistry & industry
Suppliers2 total
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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