1-Bromo-2-(Phenylethynyl)Benzene
[CAS# 21375-88-2]

Identification

• Name: 1-Bromo-2-(Phenylethynyl)Benzene
• Molecular Formula: C₁₄H₉Br
• Molecular Weight: 257.13
• CAS Registry Number: 21375-88-2
• SMILES: Brc2ccccc2C#Cc1ccccc1
• InChI: 1S/C14H9Br/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H
• InChIKey: IFCMLNNQRSTEGN-UHFFFAOYSA-N

Properties

• Density: 1.432g/cm³ (Cal.)
• Boiling point: 353.038°C at 760 mmHg (Cal.)
• Flash point: 166.529°C (Cal.)
• Refractive index: 1.662 (Cal.)

References

• (1): Yong Luo and Jie Wu. Palladium-catalyzed reaction of 2-alkynylhalobenzene with 2-alkynylbenzamide: an efficient approach to indeno[1,2-c]azepin-3(2H)-ones, Chem. Commun., 2011, 47, 11137.