Disodium 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylate

Base Information

• Chemical Name: Disodium 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylate
• CAS No.: 3473-75-4
• Molecular Formula: C10H8 N2 O6 S . 2 Na
• Molecular Weight: 328.20898
• European Community (EC) Number: 222-444-6
• DSSTox Substance ID: DTXSID10188282
• Nikkaji Number: J24.580A
• Wikidata: Q27294959
• Mol file: 3473-75-4.mol

Synonyms:3473-75-4;Disodium 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylate;UNII-Z3ZZJ9O9C1;DISODIUM,5-OXO-1-(4-SSULFONATOPHENYL)-4H-PYRAZOLE-3-CARBOXYLATE;Disodium 4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate;EINECS 222-444-6;disodium;5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate;C10H8N2O6S.2Na;DTXSID10188282;C10-H8-N2-O6-S.2Na;MFCD32644091;Q27294959;5-Oxo-1-(4-sulfophenyl)-2-pyrazoline-3-carboxylic acid disodium salt

Chemical Property of Disodium 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 138.38000
• Density: g/cm³
• LogP: -0.98530
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 327.97419565
• Heavy Atom Count: 21
• Complexity: 508

Purity/Quality:

99.9% ^*data from raw suppliers

95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=NN(C1=O)C2=CC=C(C=C2)S(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+]