4-Bromo-2,4,6-Tris(2-Methyl-2-Propanyl)-2,5-Cyclohexadien-1-One
[CAS# 1988-75-6]

Identification

• Name: 4-Bromo-2,4,6-Tris(2-Methyl-2-Propanyl)-2,5-Cyclohexadien-1-One
• Synonyms: 4-bromo-246-tri-tert-butyl-25-cyclohexadienone; InChI=1/C18H29BrO/c1-15(2,3)12-10-18(19,17(7,8)9)11-13(14(12)20)16(4,5)6/h10-11H,1-9H3
• Molecular Formula: C₁₈H₂₉BrO
• Molecular Weight: 341.33
• CAS Registry Number: 1988-75-6
• SMILES: CC(C)(C)C1=CC(C=C(C1=O)C(C)(C)C)(C(C)(C)C)Br
• InChI: 1S/C18H29BrO/c1-15(2,3)12-10-18(19,17(7,8)9)11-13(14(12)20)16(4,5)6/h10-11H,1-9H3
• InChIKey: AXDBYSGOBINHRD-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 360.9±42.0°C at 760 mmHg (Cal.)
• Flash point: -66.4±15.2°C (Cal.)
• Refractive index: 1.513 (Cal.)

References

• (1): Anthony F. Hegarty and Joseph P. Keogh. Reactivity and selectivity of aryloxylium ions, J. Chem. Soc., Perkin Trans. 2, 2001, 0, 758.