3-Quinuclidinyl 4-Iodobenzilate
[CAS# 81381-93-3]

Identification

• Name: 3-Quinuclidinyl 4-Iodobenzilate
• Synonyms: Quinuclidin-3-Yl 2-Hydroxy-2-(4-Iodophenyl)-2-Phenyl-Acetate; 2-Hydroxy-2-(4-Iodophenyl)-2-Phenylacetic Acid 3-Quinuclidinyl Ester; 2-Hydroxy-2-(4-Iodophenyl)-2-Phenyl-Acetic Acid Quinuclidin-3-Yl Ester
• Molecular Formula: C₂₁H₂₂INO₃
• Molecular Weight: 463.31
• CAS Registry Number: 81381-93-3
• SMILES: C1=CC=CC=C1C(O)(C(=O)OC2CN3CCC2CC3)C4=CC=C(C=C4)I
• InChI: 1S/C21H22INO3/c22-18-8-6-17(7-9-18)21(25,16-4-2-1-3-5-16)20(24)26-19-14-23-12-10-15(19)11-13-23/h1-9,15,19,25H,10-14H2
• InChIKey: MHBGDNWDRYOZPX-UHFFFAOYSA-N

Properties

• Density: 1.611g/cm³ (Cal.)
• Boiling point: 549.015°C at 760 mmHg (Cal.)
• Flash point: 285.834°C (Cal.)