Benzoic acid, 2-[[3-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-hydroxy-1-naphthalenyl]azo]-, methyl ester

Base Information

• Chemical Name: Benzoic acid, 2-[[3-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-hydroxy-1-naphthalenyl]azo]-, methyl ester
• CAS No.: 6985-92-8
• Deprecated CAS: 12236-69-0
• Molecular Formula: C26H19N5O5
• Molecular Weight: 481.47
• European Community (EC) Number: 230-249-2
• DSSTox Substance ID: DTXSID6064539
• Nikkaji Number: J34.041C
• Mol file: 6985-92-8.mol

Synonyms:6985-92-8;EINECS 230-249-2;Benzoic acid, 2-[[3-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-hydroxy-1-naphthalenyl]azo]-, methyl ester;methyl 2-[[2-hydroxy-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamoyl]naphthalen-1-yl]diazenyl]benzoate;Benzoic acid, 2-((3-(((2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino)carbonyl)-2-hydroxy-1-naphthalenyl)azo)-, methyl ester;Benzoic acid, 2-(2-(3-(((2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino)carbonyl)-2-hydroxy-1-naphthalenyl)diazenyl)-, methyl ester;Methyl 2-((3-(((2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino)carbonyl)-2-hydroxy-1-naphthyl)azo)benzoate;Methyl 2-[[3-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-hydroxy-1-naphthyl]azo]benzoate;SCHEMBL3645931;DTXSID6064539;SCHEMBL12969770;Benzoic acid, 2-[[3-[[(2,3-dihydro-2-oxo- 1H-benzimidazol-5-yl)amino]carbonyl]-2-hydroxy-1 -naphthalenyl]azo]-, methyl ester;C.I.12513;Benzoic acid, o-[[2-hydroxy-3-[(2-oxo-5-benzimidazolinyl)carbamoyl]-1-naphthyl]azo]-, methyl ester

Chemical Property of Benzoic acid, 2-[[3-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-hydroxy-1-naphthalenyl]azo]-, methyl ester

Chemical Property:

• Vapor Pressure: 3.11E-15mmHg at 25°C
• Refractive Index: 1.724
• Boiling Point: 605 °C at 760 mmHg
• PKA: 11.41±0.30(Predicted)
• Flash Point: 319.7 °C
• PSA: 149.00000
• Density: 1.475 g/cm³
• LogP: 5.24230
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 481.13861872
• Heavy Atom Count: 36
• Complexity: 868

Purity/Quality:

98% ^*data from raw suppliers

2-((3-(((2,3-Dihydro-2-oxo-1H-benzimidazol-5-yl)amino)-carbonyl)-2-hydroxy-1-naphthalenyl)-azo)-benzoicacid methylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=CC=C1N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=CC5=C(C=C4)NC(=O)N5)O