9,10-Anthracenedione, 1,4-dihydroxy-5,8-bis(phenylamino)-
Basic information
- CAS
52303-01-2- Standard SMILES
O=C1c2c(O)ccc(O)c2C(=O)c2c(Nc3ccccc3)ccc(Nc3ccccc3)c21- InChIKey
ZFPNHHAKQMROGS-UHFFFAOYSA-N- Molecular formula
- C26H18N2O4
- Average molar mass
- 422.4 g/mol
- Monoisotopic mass
- 422.12665706
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1,4-dihydroxy-5,8-bis(phenylamino)-
- IUPAC
- 1,4-dianilino-5,8-dihydroxyanthracene-9,10-dione
- English name
- 1,4-dihydroxy-5,8-bis(phenylamino)anthraquinone
- Molecular formula
- C26H18N2O4
- Molecular weight
- 422.43
Names & synonyms
EINECS 257-830-39,10-Anthracenedione, 1,4-dihydroxy-5,8-bis(phenylamino)-1,4-Bis(phenylamino)-5,8-dihydroxyanthraquinoneRefChem:548562C.I. Disperse Green 552303-01-21,4-dianilino-5,8-dihydroxyanthracene-9,10-dione1,4-Dihydroxy-5,8-bis(phenylamino)anthraquinoneSCHEMBL8088894DTXSID5068734ZFPNHHAKQMROGS-UHFFFAOYSA-NMFCD00728195
Show more names
C.I.62532Disperse Green 5C.I.DISPERSEGREEN5Resolin Green C-FGSC.I.Disperse Green 5:C.I.625321,4-Dihydroxy-5,8-bis(phenylamino)-9,10-anthracenedione
AKOS0016641901,4-DIHYDROXY-5,8-BIS(PHENYLAMINO)-9,10-DIHYDROANTHRACENE-9,10-DIONENS000211891,4-Dihydroxy-5,8-bis-phenylamino-anthraquinone
Database identifiers
- CAS
52303-01-2- PubChem CID
- 104148
- DTXSID
DTXSID5068734- EC Number
- 257-830-3
- Nikkaji
- J96.947H
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 629
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 245 °C · 245 °C
- Boiling point
- 672.6 · 672.6±55.0 °C(Predicted)
- Density
- 1.466 · 1.466±0.06 g/cm3(Predicted)
- pka
- 6.67 · 6.67±0.20(Predicted)
- EPA Substance Registry System
- 5 · C.I. Disperse Green 5 (52303-01-2)
- 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
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9,10-Anthracenedione, 1,4-dihydroxy-5,8-bis(phenylamino)-: INACTIVE
Preparation methods
Preparation1,4,5,8-Tetrahydroxyanthracene-9,10-dione or 1,4-Dichloro-5,8-dihydroxyanthracene-9,10-dionewith aniline (2 Moore) condensation.
Upstream & downstream products
Upstream raw materials
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Compound notes
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