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

Base Information

• Chemical Name: 9,10-Anthracenedione, 2,2'-(1,3,4-oxadiazole-2,5-diyl)bis[1-amino-
• CAS No.: 52591-25-0
• Deprecated CAS: 12227-47-3,220750-51-6,220750-51-6
• Molecular Formula: C30H16N4O5
• Molecular Weight: 512.47184
• European Community (EC) Number: 258-029-1
• UNII: 9FJ97553YY
• DSSTox Substance ID: DTXSID6068771
• Nikkaji Number: J295.742F
• Wikidata: Q81995533
• Mol file: 52591-25-0.mol

Synonyms:Vat Red 31;52591-25-0;12227-47-3;C.I.Vat Red 31;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];EINECS 258-029-1;2,2'-(1,3,4-oxadiazole-2,5-diyl)bis(1-aminoanthracene-9,10-dione);2,2'-(1,3,4-Oxadiazole-2,5-diyl)bis(1-aminoanthraquinone);1-amino-2-[5-(1-amino-9,10-dioxoanthracen-2-yl)-1,3,4-oxadiazol-2-yl]anthracene-9,10-dione;9,10-Anthracenedione, 2,2'-(1,3,4-oxadiazole-2,5-diyl)bis(1-amino-;Vat Red F3B;C.I. Vat Red 31;C30H16N4O5;C.I.VatRed31;DTXSID6068771;SCHEMBL11792528;9FJ97553YY;STK083221;AKOS003620469;C30-H16-N4-O5;H11042;Anthraquinone, 2,2'-(1,3,4-oxadiazole-2,5-diyl)bis[1-amino-;2,2'-(1,3,4-Oxadiazole-2,5-diyl)bis[1-amino-9,10-anthracenedione]

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

Chemical Property:

• Boiling Point: 873.1 °C at 760 mmHg
• Flash Point: 481.8 °C
• PSA: 159.24000
• Density: 1.538 g/cm³
• LogP: 5.28120
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 512.11206962
• Heavy Atom Count: 39
• Complexity: 970

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C4=NN=C(O4)C5=C(C6=C(C=C5)C(=O)C7=CC=CC=C7C6=O)N)N