4-[4-[[5-(2-bromoprop-2-enoylamino)-2-sulfophenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-2,5-dichlorobenzenesulfonic acid

Base Information

• Chemical Name: 4-[4-[[5-(2-bromoprop-2-enoylamino)-2-sulfophenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-2,5-dichlorobenzenesulfonic acid
• CAS No.: 12226-61-8
• Molecular Formula: C19H12BrCl2N5Na2O8S2
• Molecular Weight: 0
• European Community (EC) Number: 602-434-1
• DSSTox Substance ID: DTXSID20867910
• Mol file: 12226-61-8.mol

Synonyms:12226-61-8;4-[4-[[5-(2-bromoprop-2-enoylamino)-2-sulfophenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-2,5-dichlorobenzenesulfonic acid;DTXSID20867910;4-[4-({5-[(2-Bromoprop-2-enoyl)amino]-2-sulfophenyl}diazenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-2,5-dichlorobenzene-1-sulfonic acid

Chemical Property of 4-[4-[[5-(2-bromoprop-2-enoylamino)-2-sulfophenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-2,5-dichlorobenzenesulfonic acid

Chemical Property:

• PSA: 221.14000
• LogP: 6.05050
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 7
• Exact Mass: 652.88442
• Heavy Atom Count: 37
• Complexity: 1220

Purity/Quality:

99% ^*data from raw suppliers

REACTIVE YELLOW-39 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)NC(=O)C(=C)Br)S(=O)(=O)O)C3=CC(=C(C=C3Cl)S(=O)(=O)O)Cl