9,10-Anthracenedione, 1-[(2,6-dibromo-4-methylphenyl)amino]-4-hydroxy-

Base Information

• Chemical Name: 9,10-Anthracenedione, 1-[(2,6-dibromo-4-methylphenyl)amino]-4-hydroxy-
• CAS No.: 68239-61-2
• Deprecated CAS: 63512-13-0
• Molecular Formula: C21H13Br2NO3
• Molecular Weight: 487.14
• European Community (EC) Number: 269-454-7
• UNII: Q8T3EJ92HJ
• DSSTox Substance ID: DTXSID1071327
• Nikkaji Number: J289.085B
• Wikidata: Q72508412
• Mol file: 68239-61-2.mol

Synonyms:Solvent Red 172;68239-61-2;9,10-Anthracenedione, 1-[(2,6-dibromo-4-methylphenyl)amino]-4-hydroxy-;1-[(2,6-DIBROMO-4-METHYLPHENYL)AMINO]-4-HYDROXYANTHRAQUINONE;EINECS 269-454-7;63512-13-0;1-((2,6-Dibromo-4-methylphenyl)amino)-4-hydroxyanthraquinone;1-(2,6-dibromo-4-methylanilino)-4-hydroxyanthracene-9,10-dione;9,10-Anthracenedione, 1-((2,6-dibromo-4-methylphenyl)amino)-4-hydroxy-;C.I. Solvent Red 172;Q8T3EJ92HJ;C21H13Br2NO3;SCHEMBL305741;DTXSID1071327;C21-H13-Br2-N-O3;1-[(2,6-Dibromo-4-methylphenyl)amino]-4-hydroxy-9,10-anthracenedione;1-[(2,6-Dibromo-4-methylphenyl)amino]-4-hydroxy-9,10-anthraquinone

Chemical Property of 9,10-Anthracenedione, 1-[(2,6-dibromo-4-methylphenyl)amino]-4-hydroxy-

Chemical Property:

• Boiling Point: 551.6 °C at 760 mmHg
• PKA: 7.66±0.20(Predicted)
• Flash Point: 287.4 °C
• PSA: 66.40000
• Density: 1.789 g/cm³
• LogP: 5.81760
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 486.92417
• Heavy Atom Count: 27
• Complexity: 588

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)Br)NC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O)Br