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

HCID 104246CAS 12227-47-3

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Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1c(-c2nnc(-c3ccc4c(c3N)C(=O)c3ccccc3C4=O)o2)ccc2c1C(=O)c1ccccc1C2=O
InChIKey
HFLBGLHPZPFPAU-UHFFFAOYSA-N
Molecular formula
C30H16N4O5
Average molar mass
512.481 g/mol
Monoisotopic mass
512.11206961

Names & identifiers

Preferred name
9,10-Anthracenedione, 2,2'-(1,3,4-oxadiazole-2,5-diyl)bis[1-amino-
IUPAC
2,2'-(1,3,4-Oxadiazole-2,5-diyl)bis(1-aminoanthracene-9,10-dione)
English name
2,2'-(1,3,4-oxadiazole-2,5-diyl)bis[1-aminoanthraquinone]
Molecular formula
C30H16N4O5
Molecular weight
512.47

Names & synonyms

Einecs 258-029-1Mikethrene Red F3BDycosthren Red F-3BNovatic 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

Database identifiers

CAS
12227-47-3、52591-25-0
PubChem CID
104246
DTXSID
DTXSID6068771
UNII
9FJ97553YY
EC Number
258-029-1、602-479-7
Nikkaji
J295.742F

Properties

Physicochemical properties

Boiling point
873.1 · 873.1±75.0 °C(Predicted)
Density
1.538 · 1.538±0.06 g/cm3(Predicted)
pka
-3.97 · -3.97±0.20(Predicted)
CAS DataBase Reference
52591 · 52591-25-0
FDA UNII
9 FJ97553YY · 9FJ97553YY
EPA Substance Registry System
9 · 9,10-Anthracenedione, 2,2'-(1,3,4-oxadiazole-2,5-diyl)bis[1-amino- (52591-25-0)

Safety & regulation

Safety data

tsca
TSCA listed

Chemistry & industry

Upstream & downstream products

Suppliers16 total

陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
超彩实业有限公司0574-83851061 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]

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