2,4-Dihydro-2-[5-[(2-Hydroxyethyl)Sulphonyl]-2-Methoxyphenyl]-5-Methyl-3H-Pyrazol-3-One
[CAS# 85409-61-6]

Identification

• Name: 2,4-Dihydro-2-[5-[(2-Hydroxyethyl)Sulphonyl]-2-Methoxyphenyl]-5-Methyl-3H-Pyrazol-3-One
• Synonyms: 2-[5-(2-Hydroxyethylsulfonyl)-2-Methoxy-Phenyl]-5-Methyl-4H-Pyrazol-3-One; 2,4-Dihydro-2-(5-((2-Hydroxyethyl)Sulphonyl)-2-Methoxyphenyl)-5-Methyl-3H-Pyrazol-3-One
• Molecular Formula: C₁₃H₁₆N₂O₅S
• Molecular Weight: 312.34
• CAS Registry Number: 85409-61-6
• EINECS: 287-131-9
• SMILES: C1=C([S](=O)(=O)CCO)C=CC(=C1N2N=C(CC2=O)C)OC
• InChI: 1S/C13H16N2O5S/c1-9-7-13(17)15(14-9)11-8-10(3-4-12(11)20-2)21(18,19)6-5-16/h3-4,8,16H,5-7H2,1-2H3
• InChIKey: RXRCCQQVBOVNFJ-UHFFFAOYSA-N

Properties

• Density: 1.42g/cm³ (Cal.)
• Boiling point: 620.884°C at 760 mmHg (Cal.)
• Flash point: 329.299°C (Cal.)