1,8-Dihydroxy-4,5-bis(methylamino)anthraquinone

Base Information

• Chemical Name: 1,8-Dihydroxy-4,5-bis(methylamino)anthraquinone
• CAS No.: 56524-76-6
• Molecular Formula: C16H14 N2 O4
• Molecular Weight: 298.29336
• European Community (EC) Number: 260-241-4
• DSSTox Substance ID: DTXSID40205077
• Nikkaji Number: J296.704I
• Wikidata: Q83078560
• Mol file: 56524-76-6.mol

Synonyms:56524-76-6;1,8-Dihydroxy-4,5-bis(methylamino)anthraquinone;1,8-dihydroxy-4,5-bis(methylamino)anthracene-9,10-dione;EINECS 260-241-4;9,10-Anthracenedione, 4,5-bis(methylamino)-1,8-dihydroxy-;4,5-Bis(methylamino)-1,8-dihydroxy-9,10-anthracenedione;9,10-Anthracenedione, 1,8-dihydroxy-4,5-bis(methylamino)-;SCHEMBL18984691;DTXSID40205077;Disperse Polyester Dark Blue, 90%;STK064933;AKOS030254927;LS-20316;W-111119;1,8-Dihydroxy-4,5-bis(methylamino)-9,10-anthracenedione;1,8-DIHYDROXY-4,5-BIS(METHYLAMINO)-9,10-DIHYDROANTHRACENE-9,10-DIONE

Chemical Property of 1,8-Dihydroxy-4,5-bis(methylamino)anthraquinone

Chemical Property:

• Vapor Pressure: 1.1E-15mmHg at 25°C
• Boiling Point: 614.3°Cat760mmHg
• PKA: 7.51±0.20(Predicted)
• Flash Point: 325.3°C
• PSA: 98.66000
• Density: 1.53g/cm³
• LogP: 2.10260
• Storage Temp.: Amber Vial, -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 298.09535693
• Heavy Atom Count: 22
• Complexity: 431

Purity/Quality:

99% ^*data from raw suppliers

DispersePolyesterDarkBlue,90% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC1=C2C(=C(C=C1)O)C(=O)C3=C(C=CC(=C3C2=O)NC)O
• Uses: Disperse Polyester Dark Blue causes photocontact dermatitis in workers engaged in its manufacturing.