9,10-Anthracenedione, 1,8-dihydroxy-4-nitro-5-(phenylamino)-

Base Information

• Chemical Name: 9,10-Anthracenedione, 1,8-dihydroxy-4-nitro-5-(phenylamino)-
• CAS No.: 20241-76-3
• Deprecated CAS: 12223-12-0,12270-36-9,12629-09-3,12270-36-9,12629-09-3
• Molecular Formula: C20H12N2O6
• Molecular Weight: 376.32
• European Community (EC) Number: 243-632-4
• DSSTox Substance ID: DTXSID1066578
• Mol file: 20241-76-3.mol

Synonyms:Disperse Blue 77;20241-76-3;9,10-Anthracenedione, 1,8-dihydroxy-4-nitro-5-(phenylamino)-;EINECS 243-632-4;4-Anilino-5-nitrochrysazin;1-anilino-4,5-dihydroxy-8-nitroanthracene-9,10-dione;1-Anilino-4,5-dihydroxy-8-nitroanthraquinone;Anthraquinone, 1-anilino-4,5-dihydroxy-8-nitro-;1,8-Dihydroxy-4-nitro-5-(phenylamino)anthraquinone;C.I. Disperse Blue 77;C.I. Disperse Blue 120;Chrysazin, 4-anilino-5-nitro;DTXSID1066578;SCHEMBL11367014;SCHEMBL14094934;1-anilino-4,5-dihydroxy-8-nitroanthra-9,10-quinone;1,8-dihydroxy-4-nitro-5-(phenylamino)anthracene-9,10-dione

Chemical Property of 9,10-Anthracenedione, 1,8-dihydroxy-4-nitro-5-(phenylamino)-

Chemical Property:

• Vapor Pressure: 2.92E-16mmHg at 25°C
• Refractive Index: 1.782
• Boiling Point: 625.9 °C at 760 mmHg
• PKA: 3.93±0.20(Predicted)
• Flash Point: 332.4 °C
• PSA: 132.45000
• Density: 1.609 g/cm³
• LogP: 4.12120
• Water Solubility.: 850ng/L at 20℃
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 376.06953611
• Heavy Atom Count: 28
• Complexity: 643

Purity/Quality:

99.9% ^*data from raw suppliers

1,8-DIHYDROXY-4-PHENYLAMINO-5-NITROANTHRAQUINONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=C(C=CC(=C4C3=O)[N+](=O)[O-])O