3H-Pyrazol-3-one, 2,4-dihydro-2-[4-[(2-hydroxyethyl)sulfonyl]phenyl]-5-methyl-

Base Information

• Chemical Name: 3H-Pyrazol-3-one, 2,4-dihydro-2-[4-[(2-hydroxyethyl)sulfonyl]phenyl]-5-methyl-
• CAS No.: 21951-34-8
• Molecular Formula: C12H14N2O4S
• Molecular Weight: 282.31 .
• European Community (EC) Number: 244-678-8
• DSSTox Substance ID: DTXSID0066743
• Nikkaji Number: J41.476J
• Wikidata: Q72465156
• Mol file: 21951-34-8.mol

Synonyms:21951-34-8;2-[4-(2-hydroxyethylsulfonyl)phenyl]-5-methyl-4H-pyrazol-3-one;3H-Pyrazol-3-one, 2,4-dihydro-2-[4-[(2-hydroxyethyl)sulfonyl]phenyl]-5-methyl-;2,4-Dihydro-2-[4-[(2-hydroxyethyl)sulphonyl]phenyl]-5-methyl-3H-pyrazol-3-one;1-(4-beta-Hydroxyethylsulfonylphenyl)-3-methyl-5-pyrazolone;2,4-Dihydro-2-(4-((2-hydroxyethyl)sulphonyl)phenyl)-5-methyl-3H-pyrazol-3-one;2,4-dihydro-2-[4-[(2-hydroxyethyl)sulfonyl]phenyl]-5-methyl-3h-pyrazol-3-one;3H-Pyrazol-3-one, 2,4-dihydro-2-(4-((2-hydroxyethyl)sulfonyl)phenyl)-5-methyl-;EINECS 244-678-8;SCHEMBL3410994;DTXSID0066743;FT-0605650;A815777;W-110538;1-[4-(2-Hydroxyethyl)sulfonylphenyl]-3-methyl-1H-pyrazol-5(4H)-one;2-Pyrazolin-5-one, 1-(p-((2-hydroxyethyl)sulfonyl)phenyl)-3-methyl-

Chemical Property of 3H-Pyrazol-3-one, 2,4-dihydro-2-[4-[(2-hydroxyethyl)sulfonyl]phenyl]-5-methyl-

Chemical Property:

• Appearance/Colour: white to off-white powder
• Vapor Pressure: 1.59E-14mmHg at 25°C
• Refractive Index: 1.635
• Boiling Point: 584.9 °C at 760 mmHg
• Flash Point: 307.6 °C
• PSA: 95.42000
• Density: 1.42 g/cm³
• LogP: 1.14660
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 282.06742811
• Heavy Atom Count: 19
• Complexity: 472

Purity/Quality:

99%, ^*data from raw suppliers

1-(4-BETA-HYDROXYETHYLSULFONYLPHENYL-)-3-METHYL-5-PYRAZOLONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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