9,10-Anthracenedione, 1,5-diphenoxy-
Basic information
- CAS
82-21-3- Standard SMILES
O=C1c2cccc(Oc3ccccc3)c2C(=O)c2cccc(Oc3ccccc3)c21- InChIKey
GSNYYYXHQZHEFP-UHFFFAOYSA-N- Molecular formula
- C26H16O4
- Average molar mass
- 392.4 g/mol
- Monoisotopic mass
- 392.10485899
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1,5-diphenoxy-
- IUPAC
- 1,5-diphenoxyanthracene-9,10-dione
- English name
- 1,5-Diphenoxyanthraquinone
- Molecular formula
- C26H16O4
- Molecular weight
- 392.4
Names & synonyms
1,5-Difenoxyanthrachinon1,5-Difenoxyanthrachinon [Czech]9,10-Anthracenedione, 1,5-diphenoxy-EINECS 201-404-1NSC 37627BRN 2485288ANTHRAQUINONE, 1,5-DIPHENOXY-3-08-00-03789 (Beilstein Handbook Reference)RefChem:5485921,5-Diphenoxyanthraquinone82-21-31,5-diphenoxyanthracene-9,10-dione
Show more names
1,5-diphenoxy-anthraquinon1,5-Diphenoxy-9,10-antracenedione1,5-Diphenoxy-9,10-Anthracenedione1,5-bis(phenoxy)-9,10-anthraquinone1,5-bis(phenoxy)anthracene-9,10-dione
MLS0007381659, 1,5-diphenoxy-Anthraquinone,5-diphenoxy-CHEMBL4296992SCHEMBL10927218GSNYYYXHQZHEFP-UHFFFAOYSA-NC26H16O4NSC37627
Database identifiers
- CAS
82-21-3- PubChem CID
- 6699
- ChEMBL
CHEMBL4296992- EC Number
- 201-404-1
- Nikkaji
- J55.277A
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 565
Physicochemical properties
- Boiling point
- 477.13 °C · 477.13°C (rough estimate)
- Density
- 1.1748 · 1.1748 (rough estimate)
- refractive index
- 1.665 · 1.6650 (estimate)
- EPA Substance Registry System
- 9 · 9,10-Anthracenedione, 1,5-diphenoxy- (82-21-3)
- Risk Statements
- 36 · 36/37/38
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- risk_code
- 36/37/38
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9,10-Anthracenedione, 1,5-diphenoxy-: INACTIVE
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Related reactions
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Compound notes
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