2-Benzoyl-4-Chloro-5,5-Dimethyl-1,3-Cyclohexanedione
[CAS# 412940-85-3]

Identification

• Name: 2-Benzoyl-4-Chloro-5,5-Dimethyl-1,3-Cyclohexanedione
• Synonyms: 2-benzoyl-4-chloro-5,5-dimethyl-1,3-cyclohexanedione; 2-benzoyl-4-chloro-5,5-dimethylcyclohexane-1,3-dione; AG-690/11765931
• Molecular Formula: C₁₅H₁₅ClO₃
• Molecular Weight: 278.73
• CAS Registry Number: 412940-85-3
• SMILES: CC1(CC(=O)C(C(=O)C1Cl)C(=O)C2=CC=CC=C2)C
• InChI: 1S/C15H15ClO3/c1-15(2)8-10(17)11(13(19)14(15)16)12(18)9-6-4-3-5-7-9/h3-7,11,14H,8H2,1-2H3
• InChIKey: BLFQLOXHVZSMJH-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 444.0±45.0°C at 760 mmHg (Cal.)
• Flash point: 187.1±29.3°C (Cal.)
• Refractive index: 1.554 (Cal.)