4,5,6,7-Tetrabromo-2-Cresolphthalein-3'-Methyliminodiacetic Acid
[CAS# 85563-15-1]

Identification

• Name: 4,5,6,7-Tetrabromo-2-Cresolphthalein-3'-Methyliminodiacetic Acid
• Synonyms: 2-[Carboxymethyl-[[2-Hydroxy-3-Methyl-5-[4,5,6,7-Tetrabromo-1-(4-Hydroxy-3-Methyl-Phenyl)-3-Oxo-Isobenzofuran-1-Yl]Phenyl]Methyl]Amino]Acetic Acid; 2-[Carboxymethyl-[[2-Hydroxy-3-Methyl-5-[4,5,6,7-Tetrabromo-1-(4-Hydroxy-3-Methylphenyl)-3-Oxo-1-Isobenzofuranyl]Phenyl]Methyl]Amino]Acetic Acid; 2-[Carboxymethyl-[2-Hydroxy-3-Methyl-5-[4,5,6,7-Tetrabromo-1-(4-Hydroxy-3-Methyl-Phenyl)-3-Keto-Isobenzofuran-1-Yl]Benzyl]Amino]Acetic Acid
• Molecular Formula: C₂₇H₂₁Br₄NO₈
• Molecular Weight: 807.08
• CAS Registry Number: 85563-15-1
• SMILES: C1=C(C(=C(C=C1C2(OC(=O)C3=C2C(=C(Br)C(=C3Br)Br)Br)C4=CC=C(O)C(=C4)C)C)O)CN(CC(=O)O)CC(=O)O
• InChI: 1S/C27H21Br4NO8/c1-11-5-14(3-4-16(11)33)27(20-19(26(39)40-27)21(28)23(30)24(31)22(20)29)15-6-12(2)25(38)13(7-15)8-32(9-17(34)35)10-18(36)37/h3-7,33,38H,8-10H2,1-2H3,(H,34,35)(H,36,37)
• InChIKey: FUUVMYKRXAJJQG-UHFFFAOYSA-N

Properties

• Density: 1.989g/cm³ (Cal.)
• Boiling point: 876.337°C at 760 mmHg (Cal.)
• Flash point: 483.791°C (Cal.)