Basic information
- CAS
15958-61-9- Standard SMILES
O=C1c2ccccc2C(=O)c2c(Nc3ccc(S(=O)(=O)c4ccccc4)cc3)cccc21- InChIKey
KENBLFRKIMERGS-UHFFFAOYSA-N- Molecular formula
- C26H17NO4S
- Average molar mass
- 439.5 g/mol
- Monoisotopic mass
- 439.0878292
Overview
See also: Anthraquinone, 1-[p-(phenylsulfonyl)anilino]- (annotation moved to).
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1-((4-(phenylsulfonyl)phenyl)amino)-
- IUPAC
- 1-[4-(benzenesulfonyl)anilino]anthracene-9,10-dione
- English name
- 1-[p-(phenylsulphonyl)anilino]anthraquinone
- Molecular formula
- C26H17NO4S
- Molecular weight
- 439.48
Names & synonyms
1-(p-(Phenylsulphonyl)anilino)anthraquinone9,10-Anthracenedione, 1-[[4-(phenylsulfonyl)phenyl]amino]-EINECS 240-092-15BPQ35UN5P1-[p-(Phenylsulphonyl)anilino]anthraquinoneDTXSID10659789,10-Anthracenedione, 1-((4-(phenylsulfonyl)phenyl)amino)-1-((4-(PHENYLSULFONYL)PHENYL)AMINO)-9,10-ANTHRACENEDIONE1-[[4-(Phenylsulfonyl)phenyl]amino]-9,10-anthracenedioneRefChem:107463DTXCID303513715958-61-9
Show more names
1-[p-(Phenylsulfonyl)anilino]anthraquinone1-[4-(Phenylsulfonyl)anilino]-9,10-anthracenedione10-Anthracenedione, 1-[[4-(phenylsulfonyl) phenyl]amino]-9
1-[4-(benzenesulfonyl)anilino]anthracene-9,10-dioneUNII-5BPQ35UN5PSCHEMBL11605395KENBLFRKIMERGS-UHFFFAOYSA-NNS00025194
Database identifiers
- CAS
15958-61-9
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 88.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 804
Physicochemical properties
- Boiling point
- 671.9 · 671.9±55.0 °C(Predicted)
- Density
- 1.401 · 1.401±0.06 g/cm3(Predicted)
- pka
- -5.19 · -5.19±0.20(Predicted)
- FDA UNII
- 5 BPQ35UN5P · 5BPQ35UN5P
- EPA Substance Registry System
- 9 · 9,10-Anthracenedione, 1-[[4-(phenylsulfonyl)phenyl]amino]- (15958-61-9)
- 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.
Hazard information
Regulatory InformationHazard Traits - Bioaccumulation; Environmental Persistence
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9,10-Anthracenedione, 1-[[4-(phenylsulfonyl)phenyl]amino]-: ACTIVE
Suppliers2 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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