5-Bromo-PAPS

Base Information

• Chemical Name: 5-Bromo-PAPS
• CAS No.: 679787-08-7
• Molecular Formula: C17H21BrN4O4S.2H2O.2Na
• Molecular Weight: 501.30600
• DSSTox Substance ID: DTXSID10576140
• Nikkaji Number: J1.430.472J
• Mol file: 679787-08-7.mol

Synonyms:5-Bromo-PAPS;679787-08-7;2-(5-Bromo-2-pyridylazo)-5-[N-propyl-N-(3-sulfopropyl)amino]phenol disodium salt dihydrate;disodium;3-[4-[(5-bromopyridin-2-yl)diazenyl]-3-oxido-N-propylanilino]propane-1-sulfonate;DTXSID10576140;2-(5-bromo-2-pyridylazo)-5-[N-propyl-N-(3-sulfopropyl) amino]phenol disodium salt dihydrate;Disodium 3-[{4-[(E)-(5-bromopyridin-2-yl)diazenyl]-3-oxidophenyl}(propyl)amino]propane-1-sulfonate

Chemical Property of 5-Bromo-PAPS

Chemical Property:

• PSA: 129.49000
• LogP: 5.63580
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 500.01058
• Heavy Atom Count: 29
• Complexity: 559

Purity/Quality:

97% ^*data from raw suppliers

5-Bromo-PAPS ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN(CCCS(=O)(=O)[O-])C1=CC(=C(C=C1)N=NC2=NC=C(C=C2)Br)[O-].[Na+].[Na+]
• Uses: 5-Bromo-PAPS is a reagent used for the zinc determination.