Etoricoxib Impurity 29
[CAS# 40061-50-5]

Identification

• Name: Etoricoxib Impurity 29
• Synonyms: 2-(4-Methanesulfonylphenyl)-1-pyridin-3-ylethanone
• Molecular Formula: C₁₄H₁₃NO₃S
• Molecular Weight: 275.32
• CAS Registry Number: 40061-50-5
• SMILES: CS(=O)(=O)C1=CC=C(C=C1)CC(=O)C2=CN=CC=C2

Properties

• Solubility: 3803 mg/L (25 °C water)
• Density: 1.3±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.580, Calc.^*
• Melting point: 165.52 °C
• Boiling Point: 415.76 °C, 506.3±50.0 °C (760 mmHg), Calc.^*
• Flash Point: 260.0±30.1 °C, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.