(4,5-Dihydro-3,4-dimethyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid

Base Information

• Chemical Name: (4,5-Dihydro-3,4-dimethyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid
• CAS No.: 99595-95-6
• Molecular Formula: C11H12N2O4S
• Molecular Weight: 268.289
• European Community (EC) Number: 308-990-9
• DSSTox Substance ID: DTXSID20912616
• Mol file: 99595-95-6.mol

Synonyms:99595-95-6;2-(3,4-Dimethyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid;DTXSID20912616;EINECS 308-990-9;(4,5-Dihydro-3,4-dimethyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid;2-(3,4-Dimethyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid

Chemical Property of (4,5-Dihydro-3,4-dimethyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 95.42000
• Density: 1.47g/cm³
• LogP: 1.87330
• XLogP3: 0.6
• 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:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(=NN(C1=O)C2=CC=CC=C2S(=O)(=O)O)C