1-Butyl-5-((4-chlorophenyl)azo)-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile

Base Information

• Chemical Name: 1-Butyl-5-((4-chlorophenyl)azo)-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile
• CAS No.: 69808-32-8
• Molecular Formula: C17H17 Cl N4 O2
• Molecular Weight: 344.79548
• European Community (EC) Number: 274-126-1,617-509-4
• UNII: JHE4FQ68MN
• DSSTox Substance ID: DTXSID9041493,DTXSID701024052
• Nikkaji Number: J38.123C
• Wikidata: Q27281507
• Mol file: 69808-32-8.mol

Synonyms:69808-32-8;JHE4FQ68MN;1-Butyl-5-((4-chlorophenyl)azo)-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile;1-BUTYL-5-[(4-CHLOROPHENYL)AZO]-1,2-DIHYDRO-6-HYDROXY-4-METHYL-2-OXONICOTINONITRILE;3-Pyridinecarbonitrile, 1-butyl-5-((4-chlorophenyl)azo)-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-;3-Pyridinecarbonitrile, 1-butyl-5-[(4-chlorophenyl)azo]-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-;3-Pyridinecarbonitrile, 1-butyl-5-(2-(4-chlorophenyl)diazenyl)-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-;1-Butyl-5-(4-chlorophenyl)azo-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile;EINECS 274-126-1;UNII-JHE4FQ68MN;C.I. Disperse Yellow 218;SCHEMBL8643038;SCHEMBL9490131;DTXSID9041493;DTXSID701024052;1-Butyl-5-(4-chlorophenylazo)-3-cyano-6-hydroxy-4-methyl-2(1H)-pyridone;AKOS002866487;1-Butyl-5-((4-chlorophenyl)azo)-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile;J38.123C;W-111392;Q27281507;83929-90-2

Chemical Property of 1-Butyl-5-((4-chlorophenyl)azo)-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile

Chemical Property:

• Vapor Pressure: 6.75E-09mmHg at 25°C
• Boiling Point: 467°C at 760 mmHg
• PKA: 1.76±0.58(Predicted)
• Flash Point: 236.2°C
• PSA: 85.56000
• Density: 1.28g/cm³
• LogP: 3.12778
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 344.1040035
• Heavy Atom Count: 24
• Complexity: 636

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN1C(=C(C(=C(C1=O)N=NC2=CC=C(C=C2)Cl)C)C#N)O