4-Amino-5-oxo-1-(p-sulphophenyl)-2-pyrazoline-3-carboxylic acid

Base Information

• Chemical Name: 4-Amino-5-oxo-1-(p-sulphophenyl)-2-pyrazoline-3-carboxylic acid
• CAS No.: 2508-84-1
• Molecular Formula: C10H9 N3 O6 S
• Molecular Weight: 299.25996
• Hs Code.: 2933199090
• European Community (EC) Number: 219-721-9
• DSSTox Substance ID: DTXSID00947941
• Nikkaji Number: J191.998I
• Wikidata: Q27127016
• Metabolomics Workbench ID: 60924
• Mol file: 2508-84-1.mol

Synonyms:1-sulfophenyl-3-carboxy-4-amino-5-oxypyrazole;SCAOP

Chemical Property of 4-Amino-5-oxo-1-(p-sulphophenyl)-2-pyrazoline-3-carboxylic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 158.74000
• Density: 1.88g/cm³
• LogP: 0.32950
• XLogP3: -2.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 299.02120619
• Heavy Atom Count: 20
• Complexity: 558

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1N2C(=O)C(C(=N2)C(=O)O)N)S(=O)(=O)O