4-((1-Hydroxy-6-((((5-hydroxy-6-(phenylazo)-7-sulpho-2-naphthyl)amino)carbonyl)amino)-3-sulpho-2-naphthyl)azo)benzoic acid

Base Information

• Chemical Name: 4-((1-Hydroxy-6-((((5-hydroxy-6-(phenylazo)-7-sulpho-2-naphthyl)amino)carbonyl)amino)-3-sulpho-2-naphthyl)azo)benzoic acid
• CAS No.: 72987-46-3
• Molecular Formula: C34H24N6O11S2
• Molecular Weight: 756.718
• European Community (EC) Number: 277-185-1
• DSSTox Substance ID: DTXSID00863915
• Nikkaji Number: J269.423I

Synonyms:Calcomine Orange 2RS;EINECS 277-185-1;72987-46-3;4-((1-Hydroxy-6-((((5-hydroxy-6-(phenylazo)-7-sulpho-2-naphthyl)amino)carbonyl)amino)-3-sulpho-2-naphthyl)azo)benzoic acid;SCHEMBL20621514;DTXSID00863915;4-[(E)-[1-hydroxy-6-[[5-hydroxy-6-[(E)-phenylazo]-7-sulfo-2-naphthyl]carbamoylamino]-3-sulfo-2-naphthyl]azo]benzoic acid;4-[1-Hydroxy-6-[[5-hydroxy-6-phenylazo-7-sulfo-2-naphthalenylamino]carbonylamino]-3-sulfo-2-naphthalenylazo]benzoic acid;4-{[1-Hydroxy-6-({[5-hydroxy-6-(phenyldiazenyl)-7-sulfonaphthalen-2-yl]carbamoyl}amino)-3-sulfonaphthalen-2-yl]diazenyl}benzoic acid;Benzoic acid, 4-[(E)-[1-hydroxy-6-[[[[5-hydroxy-6-[(E)-phenylazo]-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-3-sulfo-2-naphthalenyl]azo]-

Chemical Property of 4-((1-Hydroxy-6-((((5-hydroxy-6-(phenylazo)-7-sulpho-2-naphthyl)amino)carbonyl)amino)-3-sulpho-2-naphthyl)azo)benzoic acid

Chemical Property:

• Density: 1.656g/cm³
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 9
• Exact Mass: 756.09444795
• Heavy Atom Count: 53
• Complexity: 1570

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N=NC2=C(C=C3C=C(C=CC3=C2O)NC(=O)NC4=CC5=CC(=C(C(=C5C=C4)O)N=NC6=CC=C(C=C6)C(=O)O)S(=O)(=O)O)S(=O)(=O)O

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