Benzoic acid, 5-[[4'-[[2,6-diamino-3-[(4-sulfophenyl)azo]phenyl]azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-2-hydroxy-, dilithium salt

Base Information

• Chemical Name: Benzoic acid, 5-[[4'-[[2,6-diamino-3-[(4-sulfophenyl)azo]phenyl]azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-2-hydroxy-, dilithium salt
• CAS No.: 70632-09-6
• Molecular Formula: C33H28 N8 O6 S . 2 Li
• Molecular Weight: 676.55654
• European Community (EC) Number: 274-709-0
• DSSTox Substance ID: DTXSID8072081
• Mol file: 70632-09-6.mol

Synonyms:70632-09-6;Benzoic acid, 5-[[4'-[[2,6-diamino-3-[(4-sulfophenyl)azo]phenyl]azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-2-hydroxy-, dilithium salt;EINECS 274-709-0;4-((2,6-Diamino-3-((p-sulfophenyl)azo)phenyl)azo)-4'-(5-salicylazo)-3,3'-dimethyl-1,1'-biphenyl, dilithium salt;Benzoic acid, 5-((4'-((2,6-diamino-3-((4-sulfophenyl)azo)phenyl)azo)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)azo)-2-hydroxy-, dilithium salt;Benzoic acid, 5-(2-(4'-(2-(2,6-diamino-3-(2-(4-sulfophenyl)diazenyl)phenyl)diazenyl)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)diazenyl)-2-hydroxy-, lithium salt (1:2);Dilithium 5-((4'-((2,6-diamino-3-((4-sulphonatophenyl)azo)phenyl)azo)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)azo)salicylate;DTXSID8072081

Chemical Property of Benzoic acid, 5-[[4'-[[2,6-diamino-3-[(4-sulfophenyl)azo]phenyl]azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-2-hydroxy-, dilithium salt

Chemical Property:

• PSA: 248.65000
• LogP: 7.76900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 7
• Exact Mass: 676.20160862
• Heavy Atom Count: 50
• Complexity: 1250

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [Li+].[Li+].CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C=CC(=C3N)N=NC4=CC=C(C=C4)S(=O)(=O)[O-])N)C)N=NC5=CC(=C(C=C5)O)C(=O)[O-]

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