4-((4-Chloro-6-isopropoxy-1,3,5-triazin-2-yl)amino)-2-((1-(2-chloro-6-methylphenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)benzenesulphonic acid

Base Information

• Chemical Name: 4-((4-Chloro-6-isopropoxy-1,3,5-triazin-2-yl)amino)-2-((1-(2-chloro-6-methylphenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)benzenesulphonic acid
• CAS No.: 93804-38-7
• Molecular Formula: C23H22 Cl2 N8 O5 S
• Molecular Weight: 593.44238
• European Community (EC) Number: 298-414-1
• DSSTox Substance ID: DTXSID101099437
• Nikkaji Number: J348.834I
• Mol file: 93804-38-7.mol

Synonyms:93804-38-7;EINECS 298-414-1;UNII-17E95CEZ1Q;17E95CEZ1Q;4-((4-Chloro-6-isopropoxy-1,3,5-triazin-2-yl)amino)-2-((1-(2-chloro-6-methylphenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)benzenesulphonic acid;4-((4-Chloro-6-isopropoxy-1,3,5-triazin-2-yl)amino)-2-(2-(1-(2-chloro-6-methylphenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl)diazen-1-yl)benzenesulfonic acid;4-[[4-chloro-6-isopropoxy-1,3,5-triazin-2-yl]amino]-2-[[1-(2-chloro-6-methylphenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzenesulphonic acid;C23H22Cl2N8O5S;DTXSID101099437;C23-H22-Cl2-N8-O5-S;4-[[4-Chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl]amino]-2-[[[1-(2-chloro-6-methylphenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol]-4-yl]azo]benzenesulfonic acid

Chemical Property of 4-((4-Chloro-6-isopropoxy-1,3,5-triazin-2-yl)amino)-2-((1-(2-chloro-6-methylphenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)benzenesulphonic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 183.30000
• Density: 1.61g/cm³
• LogP: 5.14260
• XLogP3: 5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 8
• Exact Mass: 592.0810924
• Heavy Atom Count: 39
• Complexity: 1040

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)Cl)N2C(=O)C(C(=N2)C)N=NC3=C(C=CC(=C3)NC4=NC(=NC(=N4)Cl)OC(C)C)S(=O)(=O)O