3-[2-(4-Iodophenyl)-2-oxoethyl]benzonitrile
[CAS# 898784-39-9]

Identification

• Name: 3-[2-(4-Iodophenyl)-2-oxoethyl]benzonitrile
• Synonyms: 2-(3-Cyanophenyl)-4'-iodoacetophenone
• Molecular Formula: C₁₅H₁₀INO
• Molecular Weight: 347.15
• CAS Registry Number: 898784-39-9
• SMILES: O=C(Cc1cccc(C#N)c1)c2ccc(I)cc2
• InChI: 1S/C15H10INO/c16-14-6-4-13(5-7-14)15(18)9-11-2-1-3-12(8-11)10-17/h1-8H,9H2
• InChIKey: NZLFMALWMSEJAH-UHFFFAOYSA-N

Properties

• Density: 1.657g/cm³ (Cal.)
• Boiling point: 461.02°C at 760 mmHg (Cal.)
• Flash point: 232.617°C (Cal.)
• Refractive index: 1.67 (Cal.)