Benzoic acid, 2-[[3-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-hydroxy-1-naphthalenyl]azo]-, butyl 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]-, butyl ester
• CAS No.: 31778-10-6
• Deprecated CAS: 71872-62-3
• Molecular Formula: C29H25N5O5
• Molecular Weight: 523.55
• European Community (EC) Number: 250-800-0
• DSSTox Substance ID: DTXSID9067645
• Nikkaji Number: J34.040E
• Mol file: 31778-10-6.mol

Synonyms:31778-10-6;EINECS 250-800-0;C29H25N5O5;Benzoic acid, 2-[[3-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-hydroxy-1-naphthalenyl]azo]-, butyl ester;EC 250-800-0;butyl 2-[[2-hydroxy-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamoyl]naphthalen-1-yl]diazenyl]benzoate;C29-H25-N5-O5;Benzoic acid, 2-((3-(((2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino)carbonyl)-2-hydroxy-1-naphthalenyl)azo)-, butyl ester;Benzoic acid, 2-(2-(3-(((2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino)carbonyl)-2-hydroxy-1-naphthalenyl)diazenyl)-, butyl ester;Butyl 2-[[3-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-hydroxy-1-naphthyl]azo]benzoate;Benzoic acid, 2-[[3-[[(2,3-dihydro-2-oxo- 1H-benzimidazol-5-yl)amino]carbonyl]-2-hydroxy-1 -naphthalenyl]azo]-, butyl ester;Benzoic acid, o-[[2-hydroxy-3-[(2-oxo-5-benzimidazolinyl)carbamoyl]-1-naphthyl]azo]-, butyl ester;Butyl 2-((3-(((2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino)carbonyl)-2-hydroxy-1-naphthyl)azo)benzoate;SCHEMBL4162366;DTXSID9067645;SCHEMBL12969618;MFCD09751217;butyl 2-[(2Z)-2-[2-oxo-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamoyl]naphthalen-1-ylidene]hydrazinyl]benzoate;C.I.12514;A924862;butyl (E)-2-((2-hydroxy-3-((2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)carbamoyl)naphthalen-1-yl)diazenyl)benzoate;butyl 2-[(1E)-2-{2-hydroxy-3-[(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)carbamoyl]naphthalen-1-yl}diazen-1-yl]benzoate

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

Chemical Property:

• Appearance/Colour: Bright red powder
• Vapor Pressure: 1.44E-16mmHg at 25°C
• Refractive Index: 1.691
• Boiling Point: 632 °C at 760 mmHg
• PKA: 11.41±0.30(Predicted)
• Flash Point: 336 °C
• PSA: 149.00000
• Density: 1.39 g/cm³
• LogP: 6.41260
• Water Solubility.: 3.2μg/L at 24℃
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 523.18556891
• Heavy Atom Count: 39
• Complexity: 915

Purity/Quality:

99% ^*data from raw suppliers

Butyl2-((2-hydroxy-3-((2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)carbamoyl)naphthalen-1-yl)diazenyl)benzoate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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