4-(4-Bromophenyl)-4,5-Dimethyl-2-Cyclohexen-1-One
[CAS# 17429-37-7]

Identification

• Name: 4-(4-Bromophenyl)-4,5-Dimethyl-2-Cyclohexen-1-One
• Synonyms: 4-(4-Bromophenyl)-4,5-dimethyl-2-cyclohexen-1-one #
• Molecular Formula: C₁₄H₁₅BrO
• Molecular Weight: 279.17
• CAS Registry Number: 17429-37-7
• SMILES: CC1CC(=O)C=CC1(C)C2=CC=C(C=C2)Br
• InChI: 1S/C14H15BrO/c1-10-9-13(16)7-8-14(10,2)11-3-5-12(15)6-4-11/h3-8,10H,9H2,1-2H3
• InChIKey: CKMKVUDREHULBH-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 307.7±31.0°C at 760 mmHg (Cal.)
• Flash point: 17.2±12.2°C (Cal.)
• Refractive index: 1.553 (Cal.)

References

• (1): Hua Yang, Somdev Banerjee and Rich G. Carter. Proline sulphonamide-catalysed Yamada–Otani condensation: reaction development, substrate scope and scaffold reactivity, Org. Biomol. Chem., 2012, 10, 4851.