Basic information
- CAS
55879-96-4- Standard SMILES
O=C1c2cccc(Sc3ccccc3)c2C(=O)c2cccc(Sc3ccccc3)c21- InChIKey
JGDLEVAYNWLIKN-UHFFFAOYSA-N- Molecular formula
- C26H16O2S2
- Average molar mass
- 424.5 g/mol
- Monoisotopic mass
- 424.0591721
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1,5-bis(phenylthio)-
- IUPAC
- 1,5-bis(phenylsulfanyl)anthracene-9,10-dione
- English name
- 1,5-bis(phenylsulfanyl)anthracene-9,10-dione
- Molecular formula
- C26H16O2S2
- Molecular weight
- 424.53
Names & synonyms
1,5-Bis(phenylthio)-9,10-anthracenedione9,10-Anthracenedione, 1,5-bis(phenylthio)-DTXSID20886186RefChem:107456DTXCID301025527853-539-655879-96-41,5-bis(phenylsulfanyl)anthracene-9,10-dione1,5-bis(phenylthio)anthraquinoneC.I.Solvent Yellow 189AO-638/40907009SCHEMBL4465042
Show more names
1,5-bis(phenylthio) anthraquinoneFS414981,5-bis(phenylsulfanyl)anthra-9,10-quinone
Database identifiers
- CAS
55879-96-4- PubChem CID
- 91914
- DTXSID
DTXSID20886186- EC Number
- 853-539-6
- Nikkaji
- J1.575.738H
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 569
Physicochemical properties
- EPA Substance Registry System
- 9 · 9,10-Anthracenedione, 1,5-bis(phenylthio)- (55879-96-4)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 411 · H411-H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
- TSCA
- TSCA listed
Safety & regulation
GHS classification
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1B (100%)；Aquatic Chronic 2 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H411-H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9,10-Anthracenedione, 1,5-bis(phenylthio)-: INACTIVE
Suppliers1 total
Shanghai Materials Electronics Co.,Ltd+86-18901586919 · [email protected]
Related reactions
2 records
Compound notes
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