2-[[2-chloro-4-[3-chloro-4-[[1-(2-methoxyanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]phenyl]diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide

Base Information

• Chemical Name: 2-[[2-chloro-4-[3-chloro-4-[[1-(2-methoxyanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]phenyl]diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide
• CAS No.: 4531-49-1
• Deprecated CAS: 101027-30-9,1264-06-8,127546-10-5,36437-78-2,39362-41-9,53802-40-7,67894-49-9,216865-15-5
• Molecular Formula: C34H30Cl2N6O6
• Molecular Weight: 689.54
• European Community (EC) Number: 224-867-1
• UNII: OE5UP31E08
• DSSTox Substance ID: DTXSID60863411
• Nikkaji Number: J35.633F
• Wikidata: Q27285599
• Mol file: 4531-49-1.mol

Synonyms:Pigment Yellow 17

Chemical Property of 2-[[2-chloro-4-[3-chloro-4-[[1-(2-methoxyanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]phenyl]diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide

Chemical Property:

• Vapor Pressure: 4.17E-26mmHg at 25°C
• Refractive Index: 1.632
• Boiling Point: 807.3 °C at 760 mmHg
• PKA: 0.69±0.59(Predicted)
• Flash Point: 442 °C 53802-40-7
• PSA: 160.24000
• Density: 1.35 g/cm³
• LogP: 8.18360
• XLogP3: 8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 13
• Exact Mass: 688.1603881
• Heavy Atom Count: 48
• Complexity: 1090

Purity/Quality:

98% ^*data from raw suppliers

PIGMENT YELLOW 17 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C(C(=O)NC1=CC=CC=C1OC)N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC(C(=O)C)C(=O)NC4=CC=CC=C4OC)Cl)Cl