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

Base Information

• Chemical Name: Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-3-methyl-
• CAS No.: 118-07-0
• Molecular Formula: C11H12 N2 O4 S
• Molecular Weight: 268.28898
• Hs Code.: 2933199090
• European Community (EC) Number: 204-232-5
• DSSTox Substance ID: DTXSID4059467
• Nikkaji Number: J40.183H
• Wikidata: Q81988814
• ChEMBL ID: CHEMBL1547454
• Mol file: 118-07-0.mol

Synonyms:118-07-0;Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-3-methyl-;3-methyl-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid;3-methyl-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid;Benzenesulfonic acid,4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-3-methyl-;EINECS 204-232-5;6-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)toluene-3-sulphonic acid;CHEMBL1547454;DTXSID4059467;HMS2693C23;MFCD00044051;STK396412;AKOS000730788;NCGC00245025-01;CS-0329416;W-109431;1-(2-Methyl-4-sulfophenyl)-3-methyl-1H-pyrazol-5(4H)-one

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

Chemical Property:

• Appearance/Colour: PALE CREAM COLOURED MOST CRYSTALS
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 95.42000
• Density: 1.47 g/cm³
• LogP: 1.93570
• 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:

98%,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=C(C=C2)S(=O)(=O)O)C