Pentafluorophenyl 4-isoquinolinecarboxylate
[CAS# 944450-77-5]

Identification

• Name: Pentafluorophenyl 4-isoquinolinecarboxylate
• Synonyms: MFCD09879898; Pentafluorophenyl isoquinoline-4-carboxylate; Pentafluorophenyl isoquinoline-4-carboxylate 97%
• Molecular Formula: C₁₆H₆F₅NO₂
• Molecular Weight: 339.22
• CAS Registry Number: 944450-77-5
• SMILES: c1ccc2c(c1)cncc2C(=O)Oc3c(c(c(c(c3F)F)F)F)F
• InChI: 1S/C16H6F5NO2/c17-10-11(18)13(20)15(14(21)12(10)19)24-16(23)9-6-22-5-7-3-1-2-4-8(7)9/h1-6H
• InChIKey: DEILZUOGNADSGO-UHFFFAOYSA-N

Properties

• Density: 1.533g/cm³ (Cal.)
• Melting point: 107-108°C (Expl.)
• Boiling point: 491.807°C at 760 mmHg (Cal.)
• Flash point: 251.236°C (Cal.)
• Refractive index: 1.581 (Cal.)

Safety Data

• Safety Description: Harmful