5-(4-Chlorobenzylidene)-2,2-Dimethyl-1,3-Dioxane-4,6-Dione
[CAS# 15851-87-3]

Identification

• Name: 5-(4-Chlorobenzylidene)-2,2-Dimethyl-1,3-Dioxane-4,6-Dione
• Synonyms: 1,3-Dioxane-4,6-dione, 5-[(4-chlorophenyl)methylene]-5,5-dimethyl-; 5-(4-Chlorobenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione #; 5-[(4-chlorophenyl)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione
• Molecular Formula: C₁₃H₁₁ClO₄
• Molecular Weight: 266.68
• CAS Registry Number: 15851-87-3
• SMILES: CC1(OC(=O)C(=CC2=CC=C(C=C2)Cl)C(=O)O1)C
• InChI: 1S/C13H11ClO4/c1-13(2)17-11(15)10(12(16)18-13)7-8-3-5-9(14)6-4-8/h3-7H,1-2H3
• InChIKey: DUJDRVWHPONYCK-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Melting point: 172°C (Expl.)
• Boiling point: 506.0±50.0°C at 760 mmHg (Cal.)
• Flash point: 221.0±29.1°C (Cal.)
• Refractive index: 1.583 (Cal.)