1-(4-Bromophenyl)-1H-Pyrrole-2,5-Dione
[CAS# 13380-67-1]

Identification

• Name: 1-(4-Bromophenyl)-1H-Pyrrole-2,5-Dione
• Synonyms: 1-(4-Bromophenyl)-3-Pyrroline-2,5-Quinone; Eu-0051200; St5184074
• Molecular Formula: C₁₀H₆BrNO₂
• Molecular Weight: 252.07
• CAS Registry Number: 13380-67-1
• SMILES: C1=CC(=CC=C1Br)N2C(C=CC2=O)=O
• InChI: 1S/C10H6BrNO2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-6H
• InChIKey: FECSFBYOMHWJQG-UHFFFAOYSA-N

Properties

• Desity: 1.7±0.1g/cm³ (Cal.)
• Melting point: 123-124°C (Expl.)
• Boiling point: 368.2±25.0°C at 760 mmHg (Cal.)
• Flash point: 176.5±23.2°C (Cal.)

Safety Data

• Safety Code: S26;S36/37
• Risk Code: R22;R36/37/38
• Hazard Symbol: X
• Safety Description: WARNING: Irritates lungs, eyes, skin

References

• (1): Richard N. Butler, Georgina M. Smyth, Patrick McArdle and Desmond Cunningham. A new tricyclic ring and a nitrogen–sulfur analogue of the tri-pentagon bowl: cycloaddition reactions of the unstablised 1,3,4-thiadiazolium-3-methanide 1,3-dipole: steric influences on the endo-eff ect: substituted pyrrolo[2,1-b]-1,3,4-thiadiazole systems: azolium 1,3-dipoles, J. Chem. Soc., Perkin Trans. 1, 2002, 0, 2851.