Ethyl (2E)-3-(4-Bromophenyl)-2-Cyanoacrylate
[CAS# 18861-58-0]

Identification

• Name: Ethyl (2E)-3-(4-Bromophenyl)-2-Cyanoacrylate
• Synonyms: (E)-Ethyl 3-(4-bromophenyl)-2-cyanoacrylate; 3-(4-Bromo-phenyl)-2-cyano-acrylic acid ethyl ester
• Molecular Formula: C₁₂H₁₀BrNO₂
• Molecular Weight: 280.12
• CAS Registry Number: 18861-58-0
• SMILES: Brc1ccc(/C=C(\C#N)C(=O)OCC)cc1
• InChI: 1S/C12H10BrNO2/c1-2-16-12(15)10(8-14)7-9-3-5-11(13)6-4-9/h3-7H,2H2,1H3/b10-7+
• InChIKey: MJGTUYOCBQBORS-JXMROGBWSA-N

Properties

• Density: 1.453g/cm³ (Cal.)
• Boiling point: 384.872°C at 760 mmHg (Cal.)
• Flash point: 186.564°C (Cal.)
• Refractive index: 1.592 (Cal.)

References

• (1): Ohmatsu et al.. Ligand-enabled multiple absolute stereocontrol in metal-catalysed cycloaddition for construction of contiguous all-carbon quaternary stereocentres, Nature Chemistry, 2013