N-Phenoxycarbonyl Paroxetine
[CAS# 253768-88-6]

Identification

• Name: N-Phenoxycarbonyl Paroxetine
• Synonyms: Phenyl (3S,4R)-3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)-1-piperidinecarboxylate
• Molecular Formula: C₂₆H₂₄FNO₅
• Molecular Weight: 449.47
• CAS Registry Number: 253768-88-6
• EC Number: 607-713-1
• SMILES: C1CN(C[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4)C(=O)OC5=CC=CC=C5

Properties

• Solubility: 0.305 mg/L (25 °C water)
• Density: 1.3±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.596, Calc.^*
• Melting point: 226.12 °C
• Boiling Point: 528.94 °C, 574.8±50.0 °C (760 mmHg), Calc.^*
• Flash Point: 301.4±30.1 °C, Calc.^*

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

Safety Data

• Hazard Symbols: GHS08
• Risk Statements: H413
• Safety Statements: P273-P501

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Chronic hazardous to the aquatic environment	Aquatic Chronic	4	H413