4-methyl-3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid

Base Information

• Chemical Name: 4-methyl-3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid
• CAS No.: 5466-86-4
• Molecular Formula: C11H12 N2 O4 S
• Molecular Weight: 268.289
• NSC Number: 26426
• DSSTox Substance ID: DTXSID20282543
• Nikkaji Number: J40.187K
• Wikidata: Q82016841

Synonyms:5466-86-4;4-methyl-3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid;STK380582;NSC26426;DTXSID20282543;MFCD02105289;NSC 26426;NSC-26426;AKOS005449926;1-(2-Methyl-5-sulfophenyl)-3-methyl-1H-pyrazol-5(4H)-one

Chemical Property of 4-methyl-3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid

Chemical Property:

• Density: 1.47g/cm³
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 268.05177804
• Heavy Atom Count: 18
• Complexity: 480

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

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

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