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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 104246Generated: October 23, 2026

9,10-Anthracenedione, 2,2'-(1,3,4-oxadiazole-2,5-diyl)bis(1-amino-

Einecs 258-029-1 · Mikethrene Red F3B · Dycosthren Red F-3B · Novatic Brilliant Red 5B. · 2,2'-(1,3,4-oxadiazole-2,5-diyl)bis[1-aminoanthraquinone] · 2,2'-(1,3,4-Oxadiazole-2,5-diyl)bis(1-amino-9,10-anthracenedione) · 9,10-Anthracenedione, 2,2'-(1,3,4-oxadiazole-2,5-diyl)bis[1-amino- · 2,2'-(1,3,4-oxadiazole-2,5-diyl)bis[1-aminoanthraquinone] ISO 9001：2015 REACH

https://huagongshe.com/en/chemical/104246

9,10-Anthracenedione, 2,2'-(1,3,4-oxadiazole-2,5-diyl)bis(1-amino- molecular structure

Identifiers & Physical Properties

CAS No.12227-47-3
Molecular formulaC30H16N4O5
Average molar mass512.5 g/mol
Monoisotopic mass512.11206961 g/mol
SMILESNc1c(-c2nnc(-c3ccc4c(c3N)C(=O)c3ccccc3C4=O)o2)ccc2c1C(=O)c1ccccc1C2=O
InChIKeyHFLBGLHPZPFPAU-UHFFFAOYSA-N
PubChem CID104246
EC No.258-029-1
DTXSIDDTXSID6068771

Chemical & Physical Properties

XLogP4.7
Topological polar surface area159
Hydrogen bond donors2
Hydrogen bond acceptors9
Rotatable bonds2
Heavy atoms39
Formal charge0
Complexity970
Boiling point873.1±75.0 °C(Predicted)
Density1.538±0.06 g/cm3(Predicted)
pKa (acidity coefficient)-3.97±0.20(Predicted)
CAS DataBase Reference52591-25-0
FDA UNII9FJ97553YY
EPA Substance Registry System9,10-Anthracenedione, 2,2'-(1,3,4-oxadiazole-2,5-diyl)bis[1-amino- (52591-25-0)
TSCA inventory statusTSCA listed

Safety & Regulations

GHS classificationThis chemical does not meet GHS hazard criteria for 100% (15 of 15) of all reports.Not ClassifiedAggregated GHS information provided per 15 reports by companies from 1 notifications to the ECHA C&L Inventory.
Regulatory informationChemical: 9,10-Anthracenedione, 2,2'-(1,3,4-oxadiazole-2,5-diyl)bis[1-amino-Hazard Traits - BioaccumulationEnvironmental Persistence
Hazard Classes and CategoriesNot Classified
TSCA inventory statusTSCA listed