1-(2,5-Disulphophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid

Base Information

• Chemical Name: 1-(2,5-Disulphophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid
• CAS No.: 6411-56-9
• Molecular Formula: C10H8 N2 O9 S2
• Molecular Weight: 364.30852
• European Community (EC) Number: 229-111-4
• DSSTox Substance ID: DTXSID80214325
• Nikkaji Number: J207.022G
• Wikidata: Q83090150
• Mol file: 6411-56-9.mol

Synonyms:6411-56-9;EINECS 229-111-4;1-(2,5-Disulphophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid;1-(2,5-DISULFOPHENYL)-4,5-DIHYDRO-5-OXO-1H-PYRAZOLE-3-CARBOXYLIC ACID;C10H8N2O9S2;DTXSID80214325;C10-H8-N2-O9-S2

Chemical Property of 1-(2,5-Disulphophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.55E-07mmHg at 25°C
• Boiling Point: 428.2°C at 760 mmHg
• PKA: -2.74±0.20(Predicted)
• Flash Point: 212.7°C
• PSA: 195.47000
• Density: 1.354g/cm³
• LogP: 1.01950
• XLogP3: -1.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 363.96712218
• Heavy Atom Count: 23
• Complexity: 759

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=NN(C1=O)C2=C(C=CC(=C2)S(=O)(=O)O)S(=O)(=O)O)C(=O)O

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