2,7-Naphthalenedisulfonic acid, 5-((2,4-dihydroxy-5-((4-(phenylamino)-3-sulfophenyl)azo)phenyl)azo)-4-hydroxy-3-((4-nitrophenyl)azo)-

Base Information

• Chemical Name: 2,7-Naphthalenedisulfonic acid, 5-((2,4-dihydroxy-5-((4-(phenylamino)-3-sulfophenyl)azo)phenyl)azo)-4-hydroxy-3-((4-nitrophenyl)azo)-
• CAS No.: 72138-99-9
• Molecular Formula: C34H24 N8 O14 S3
• Molecular Weight: 864.79
• DSSTox Substance ID: DTXSID0072514
• Nikkaji Number: J447.057E
• Mol file: 72138-99-9.mol

Synonyms:72138-99-9;2,7-Naphthalenedisulfonic acid, 5-((2,4-dihydroxy-5-((4-(phenylamino)-3-sulfophenyl)azo)phenyl)azo)-4-hydroxy-3-((4-nitrophenyl)azo)-;2,7-Naphthalenedisulfonic acid, 5-(2-(2,4-dihydroxy-5-(2-(4-(phenylamino)-3-sulfophenyl)diazenyl)phenyl)diazenyl)-4-hydroxy-3-(2-(4-nitrophenyl)diazenyl)-;2,7-Naphthalenedisulfonic acid, 5-[[2,4-dihydroxy-5-[[4-(phenylamino)-3-sulfophenyl]azo]phenyl]azo]-4-hydroxy-3-[(4-nitrophenyl)azo]-;DTXSID0072514;5-[[2,4-Dihydroxy-5-[[4-(phenylamino)-3-sulfophenyl]azo]phenyl]azo]-4-hydroxy-3-[(4-nitrophenyl)azo]-2,7-naphthalenedisulfonic acid

Chemical Property of 2,7-Naphthalenedisulfonic acid, 5-((2,4-dihydroxy-5-((4-(phenylamino)-3-sulfophenyl)azo)phenyl)azo)-4-hydroxy-3-((4-nitrophenyl)azo)-

Chemical Property:

• PKA: -1.07±0.48(Predicted)
• PSA: 373.97000
• Density: 1.767g/cm³
• LogP: 9.16980
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 11
• Exact Mass: 864.05741099
• Heavy Atom Count: 59
• Complexity: 1870

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC2=C(C=C(C=C2)N=NC3=CC(=C(C=C3O)O)N=NC4=C5C(=CC(=C4)S(=O)(=O)O)C=C(C(=C5O)N=NC6=CC=C(C=C6)[N+](=O)[O-])S(=O)(=O)O)S(=O)(=O)O

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