5-Amino-8-bromo-9,10-dihydro-9,10-dioxoanthracene-1,6-disulphonic acid

Base Information

• Chemical Name: 5-Amino-8-bromo-9,10-dihydro-9,10-dioxoanthracene-1,6-disulphonic acid
• CAS No.: 117-13-5
• Molecular Formula: C14H8 Br N O8 S2
• Molecular Weight: 462.24922
• European Community (EC) Number: 204-176-1
• DSSTox Substance ID: DTXSID50151652
• Nikkaji Number: J193.617D
• Wikidata: Q83018150
• Mol file: 117-13-5.mol

Synonyms:117-13-5;5-Amino-8-bromo-9,10-dihydro-9,10-dioxoanthracene-1,6-disulphonic acid;5-amino-8-bromo-9,10-dioxoanthracene-1,6-disulfonic acid;EINECS 204-176-1;DTXSID50151652;1,6-Anthracenedisulfonic acid, 5-amino-8-bromo-9,10-dihydro-9,10-dioxo-;5-Amino-8-bromo-9,10-dihydro-9,10-dioxo-1,6-anthracenedisulfonic acid

Chemical Property of 5-Amino-8-bromo-9,10-dihydro-9,10-dioxoanthracene-1,6-disulphonic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 185.66000
• Density: 2.072g/cm³
• LogP: 4.04290
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 460.88747
• Heavy Atom Count: 26
• Complexity: 830

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)S(=O)(=O)O)C(=O)C3=C(C=C(C(=C3C2=O)N)S(=O)(=O)O)Br