2-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzene-1,4-disulphonic acid

Base Information

• Chemical Name: 2-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzene-1,4-disulphonic acid
• CAS No.: 54817-63-9
• Molecular Formula: C10H10N2O7S2
• Molecular Weight: 334.33
• European Community (EC) Number: 259-362-5
• DSSTox Substance ID: DTXSID20203314
• Nikkaji Number: J68.939D
• Wikidata: Q83076673
• Mol file: 54817-63-9.mol

Synonyms:54817-63-9;2-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzene-1,4-disulphonic acid;EINECS 259-362-5;2-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzene-1,4-disulfonic acid;SCHEMBL8072508;DTXSID20203314;3-Methyl-1-(2,5-disulfophenyl)-2-pyrazolin-5-one

Chemical Property of 2-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzene-1,4-disulphonic acid

Chemical Property:

• Refractive Index: 1.718
• PSA: 158.17000
• Density: 1.81 g/cm³
• LogP: 1.95480
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 333.99294301
• Heavy Atom Count: 21
• Complexity: 671

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(C(=O)C1)C2=C(C=CC(=C2)S(=O)(=O)O)S(=O)(=O)O