4,5,6,7-Tetrabromophenolphthalein
[CAS# 13027-28-6]

Identification

• Name: 4,5,6,7-Tetrabromophenolphthalein
• Synonyms: 4,5,6,7-Tetrabromo-3,3-Bis(4-Hydroxyphenyl)Isobenzofuran-1-One; 4,5,6,7-Tetrabromo-3,3-Bis(4-Hydroxyphenyl)-1-Isobenzofuranone; 1(3H)-Isobenzofuranone, 4,5,6,7-Tetrabromo-3,3-Bis(4-Hydroxyphenyl)-
• Molecular Formula: C₂₀H₁₀Br₄O₄
• Molecular Weight: 633.91
• CAS Registry Number: 13027-28-6
• EINECS: 235-889-6
• SMILES: C4=C(C2(C1=C(C(=C(Br)C(=C1Br)Br)Br)C(O2)=O)C3=CC=C(C=C3)O)C=CC(=C4)O
• InChI: 1S/C20H10Br4O4/c21-15-13-14(16(22)18(24)17(15)23)20(28-19(13)27,9-1-5-11(25)6-2-9)10-3-7-12(26)8-4-10/h1-8,25-26H
• InChIKey: GNJLVMKERYSIAI-UHFFFAOYSA-N

Properties

• Density: 2.153g/cm³ (Cal.)
• Boiling point: 726.469°C at 760 mmHg (Cal.)
• Flash point: 393.155°C (Cal.)