Ibrutinib Impurity 8
[CAS# 936563-92-7]

Identification

• Name: Ibrutinib Impurity 8
• Synonyms: 1-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
• Molecular Formula: C₂₅H₂₄N₆O₂
• Molecular Weight: 440.50
• CAS Registry Number: 936563-92-7
• SMILES: C=CC(=O)N1CCC(CC1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N

Properties

• Density: 1.3±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.696, Calc.^*
• Boiling Point: 715.0±60.0 °C (760 mmHg), Calc.^*
• Flash Point: 386.2±32.9 °C, Calc.^*

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