Valdecoxib 3'-Sulfonamide Impurity
[CAS# 1373038-56-2]

Identification

• Name: Valdecoxib 3'-Sulfonamide Impurity
• Synonyms: 3-(5-Methyl-4-phenylisoxazol-3-yl)benzenesulfonamide
• Molecular Formula: C₁₆H₁₄N₂O₃S
• Molecular Weight: 314.36
• CAS Registry Number: 1373038-56-2
• SMILES: CC1=C(C(=NO1)C2=CC(=CC=C2)S(=O)(=O)N)C3=CC=CC=C3

Properties

• Density: 1.3±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.609, Calc.^*
• Boiling Point: 501.5±60.0 ºC (760 mmHg), Calc.^*
• Flash Point: 257.1±32.9 ºC, Calc.^*

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

Safety Data

• Hazard Symbols: GHS07 Warning
• Hazard Statements: H302+H312+H332-H315-H319
• Precautionary Statements: P261-P271-P280-P302+P352-P305+P351+P338