((9,10-Dihydro-1,4-dihydroxy-9,10-dioxo-2-anthryl)amino)benzenesulphonic acid

Base Information

• Chemical Name: ((9,10-Dihydro-1,4-dihydroxy-9,10-dioxo-2-anthryl)amino)benzenesulphonic acid
• CAS No.: 94087-00-0
• Molecular Formula: C20H13 N O7 S
• Molecular Weight: 411.38472
• European Community (EC) Number: 301-891-1
• DSSTox Substance ID: DTXSID20240406
• Wikidata: Q83123249
• Mol file: 94087-00-0.mol

Synonyms:EINECS 301-891-1;((9,10-Dihydro-1,4-dihydroxy-9,10-dioxo-2-anthryl)amino)benzenesulphonic acid;94087-00-0;[(9,10-dihydro-1,4-dihydroxy-9,10-dioxo-2-anthryl)amino]benzenesulphonic acid;DTXSID20240406

Chemical Property of ((9,10-Dihydro-1,4-dihydroxy-9,10-dioxo-2-anthryl)amino)benzenesulphonic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 149.38000
• Density: 1.68g/cm³
• LogP: 4.01730
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 411.04127293
• Heavy Atom Count: 29
• Complexity: 763

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(C=C(C(=C3C2=O)O)NC4=CC=CC=C4S(=O)(=O)O)O