Itanoxone
[CAS# 58182-63-1]

Identification

• Name: Itanoxone
• Synonyms: 4-[4-(2-Chlorophenyl)Phenyl]-2-Methylene-4-Oxo-Butanoic Acid; 4-[4-(2-Chlorophenyl)Phenyl]-2-Methylene-4-Oxobutanoic Acid; 2-[2-[4-(2-Chlorophenyl)Phenyl]-2-Keto-Ethyl]Acrylic Acid
• Molecular Formula: C₁₇H₁₃ClO₃
• Molecular Weight: 300.74
• CAS Registry Number: 58182-63-1
• SMILES: C1=CC=CC(=C1C2=CC=C(C=C2)C(CC(C(O)=O)=C)=O)Cl
• InChI: 1S/C17H13ClO3/c1-11(17(20)21)10-16(19)13-8-6-12(7-9-13)14-4-2-3-5-15(14)18/h2-9H,1,10H2,(H,20,21)
• InChIKey: HJWLWNLAIBFKDO-UHFFFAOYSA-N

Properties

• Density: 1.268g/cm³ (Cal.)
• Boiling point: 514.318°C at 760 mmHg (Cal.)
• Flash point: 264.851°C (Cal.)