Benzenesulfonic acid, 3-[2-[2-hydroxy-3-[[(2-methylphenyl)amino]carbonyl]-1-naphthalenyl]diazenyl]-4-methoxy-, 4-nitrophenyl ester

Base Information

• Chemical Name: Benzenesulfonic acid, 3-[2-[2-hydroxy-3-[[(2-methylphenyl)amino]carbonyl]-1-naphthalenyl]diazenyl]-4-methoxy-, 4-nitrophenyl ester
• CAS No.: 72639-39-5
• Deprecated CAS: 61968-79-4
• Molecular Formula: C31H24 N4 O8 S
• Molecular Weight: 612.60926
• European Community (EC) Number: 612-905-3
• DSSTox Substance ID: DTXSID50430530,DTXSID90868156
• Nikkaji Number: J296.337J
• Wikidata: Q82244111
• Mol file: 72639-39-5.mol

Synonyms:72639-39-5;EINECS 276-755-7;Nitrophenyl 3-2-hydroxy-3-(2-methylphenyl)carbamoyl-1-naphthylazo-4-methoxybenzenesulphonate;Benzenesulfonic acid, 3-[2-[2-hydroxy-3-[[(2-methylphenyl)amino]carbonyl]-1-naphthalenyl]diazenyl]-4-methoxy-, 4-nitrophenyl ester;Benzenesulfonic acid, 3-((2-hydroxy-3-(((2-methylphenyl)amino)carbonyl)-1-naphthalenyl)azo)-4-methoxy-, 4-nitrophenyl ester;Benzenesulfonic acid, 3-(2-(2-hydroxy-3-(((2-methylphenyl)amino)carbonyl)-1-naphthalenyl)diazenyl)-4-methoxy-, 4-nitrophenyl ester;Benzenesulfonic acid, 3-[[2-hydroxy-3-[[(2-methylphenyl)amino]carbonyl]-1-naphthalenyl]azo]-4-methoxy-, 4-nitrophenyl ester;SCHEMBL21436544;DTXSID50430530;DTXSID90868156;3-[2-Hydroxy-3-(2-methylphenylaminocarbonyl)-1-naphthalenylazo]-4-methoxybenzenesulfonic acid 4-nitrophenyl ester;61968-79-4

Chemical Property of Benzenesulfonic acid, 3-[2-[2-hydroxy-3-[[(2-methylphenyl)amino]carbonyl]-1-naphthalenyl]diazenyl]-4-methoxy-, 4-nitrophenyl ester

Chemical Property:

• Vapor Pressure: 1.73E-26mmHg at 25°C
• Boiling Point: 798.3°C at 760 mmHg
• Flash Point: 436.6°C
• Density: 1.41g/cm³
• XLogP3: 7.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 8
• Exact Mass: 612.13148491
• Heavy Atom Count: 44
• Complexity: 1120

Purity/Quality:

99% ^*data from raw suppliers

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• Canonical SMILES: CC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=C(C=CC(=C4)S(=O)(=O)OC5=CC=C(C=C5)[N+](=O)[O-])OC

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