5-Amino-4-Methyl-2-(4-Methylsulfonylphenyl)-4H-Pyrazol-3-One
[CAS# 31522-06-2]

Identification

• Name: 5-Amino-4-Methyl-2-(4-Methylsulfonylphenyl)-4H-Pyrazol-3-One
• Synonyms: 5-Amino-2-(4-Mesylphenyl)-4-Methyl-4H-Pyrazol-3-One; 5-Amino-2,4-Dihydro-4-Methyl-2-(4-(Methylsulphonyl)Phenyl)-3H-Pyrazol-3-One
• Molecular Formula: C₁₁H₁₃N₃O₃S
• Molecular Weight: 267.30
• CAS Registry Number: 31522-06-2
• EINECS: 250-676-8
• SMILES: C2=C(N1N=C(N)C(C1=O)C)C=CC(=C2)[S](=O)(=O)C
• InChI: 1S/C11H13N3O3S/c1-7-10(12)13-14(11(7)15)8-3-5-9(6-4-8)18(2,16)17/h3-7H,1-2H3,(H2,12,13)
• InChIKey: GAWHRVNMHWCETC-UHFFFAOYSA-N

Properties

• Density: 1.478g/cm³ (Cal.)
• Boiling point: 488.855°C at 760 mmHg (Cal.)
• Flash point: 249.451°C (Cal.)