1-(4-Chloro-2,5-difluorophenyl)-5-(5,5-dimethyl-1,3-dioxan-2-yl)-1-pentanone
[CAS# 898757-44-3]

Identification

• Name: 1-(4-Chloro-2,5-difluorophenyl)-5-(5,5-dimethyl-1,3-dioxan-2-yl)-1-pentanone
• Synonyms: 4'-chloro-2',5'-difluoro-5-(5,5-dimethyl-1,3-dioxan-2-yl)valerophenone
• Molecular Formula: C₁₇H₂₁ClF₂O₃
• Molecular Weight: 346.80
• CAS Registry Number: 898757-44-3
• SMILES: Fc1cc(c(F)cc1Cl)C(=O)CCCCC2OCC(C)(C)CO2
• InChI: 1S/C17H21ClF2O3/c1-17(2)9-22-16(23-10-17)6-4-3-5-15(21)11-7-14(20)12(18)8-13(11)19/h7-8,16H,3-6,9-10H2,1-2H3
• InChIKey: KVPVGRCEJJGFBE-UHFFFAOYSA-N

Properties

• Density: 1.18g/cm³ (Cal.)
• Boiling point: 419.066°C at 760 mmHg (Cal.)
• Flash point: 145.195°C (Cal.)
• Refractive index: 1.483 (Cal.)