1-(3-Bromo-4-chlorophenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-butanone
[CAS# 898757-23-8]

Identification

• Name: 1-(3-Bromo-4-chlorophenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-butanone
• Synonyms: 3'-bromo-4'-chloro-4-(5,5-dimethyl-1,3-dioxan-2-yl)butyrophenone
• Molecular Formula: C₁₆H₂₀BrClO₃
• Molecular Weight: 375.69
• CAS Registry Number: 898757-23-8
• SMILES: Clc1ccc(cc1Br)C(=O)CCCC2OCC(C)(C)CO2
• InChI: 1S/C16H20BrClO3/c1-16(2)9-20-15(21-10-16)5-3-4-14(19)11-6-7-13(18)12(17)8-11/h6-8,15H,3-5,9-10H2,1-2H3
• InChIKey: HTIWLMHMBRSJQD-UHFFFAOYSA-N

Properties

• Density: 1.318g/cm³ (Cal.)
• Boiling point: 454.985°C at 760 mmHg (Cal.)
• Flash point: 228.967°C (Cal.)
• Refractive index: 1.523 (Cal.)