4-chloro-5-methyl-2-[[3-methyl-5-oxo-1-(3-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonic acid

Base Information

• Chemical Name: 4-chloro-5-methyl-2-[[3-methyl-5-oxo-1-(3-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonic acid
• CAS No.: 129423-54-7
• Molecular Formula: C17H13CaClN4O7S2
• Molecular Weight: 524.97
• Hs Code.: 3204170000
• European Community (EC) Number: 603-331-4
• DSSTox Substance ID: DTXSID10861301
• Nikkaji Number: J2.016.482D
• Mol file: 129423-54-7.mol

Synonyms:4-chloro-5-methyl-2-[[3-methyl-5-oxo-1-(3-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonic acid;129423-54-7;SCHEMBL92066;SCHEMBL13686358;DTXSID10861301;PY-191:1;LS-194367;4-Chloro-2-[2-[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-5-methylbenzenesulfonic acid

Chemical Property of 4-chloro-5-methyl-2-[[3-methyl-5-oxo-1-(3-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonic acid

Chemical Property:

• PSA: 193.93000
• Density: 1.64[at 20℃]
• LogP: 6.01410
• Water Solubility.: 94.5mg/L at 20℃
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 486.0070689
• Heavy Atom Count: 31
• Complexity: 973

Purity/Quality:

98% ^*data from raw suppliers

PIGMENT YELLOW-191 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1Cl)N=NC2C(=NN(C2=O)C3=CC(=CC=C3)S(=O)(=O)O)C)S(=O)(=O)O