3-Acetyl-5-(4-Fluorobenzylidene)-4-Hydroxy-2(5H)-Thiophenone
[CAS# 5518-90-1]

Identification

• Name: 3-Acetyl-5-(4-Fluorobenzylidene)-4-Hydroxy-2(5H)-Thiophenone
• Synonyms: (2Z)-4-Acetyl-2-[(4-Fluorophenyl)Methylene]-5-Hydroxy-Thiophen-3-One; (2Z)-4-Acetyl-2-[(4-Fluorophenyl)Methylene]-5-Hydroxy-3-Thiophenone; (2Z)-4-Acetyl-2-(4-Fluorobenzylidene)-5-Hydroxy-Thiophen-3-One
• Molecular Formula: C₁₃H₉FO₃S
• Molecular Weight: 264.27
• CAS Registry Number: 5518-90-1
• SMILES: C2=C(/C=C/1SC(=C(C1=O)C(=O)C)O)C=CC(=C2)F
• InChI: 1S/C13H9FO3S/c1-7(15)11-12(16)10(18-13(11)17)6-8-2-4-9(14)5-3-8/h2-6,17H,1H3/b10-6-
• InChIKey: NFWICFYAIBREJS-POHAHGRESA-N

Properties

• Density: 1.517g/cm³ (Cal.)
• Boiling point: 459.951°C at 760 mmHg (Cal.)
• Flash point: 231.97°C (Cal.)