2',4',5',7'-Tetrabromo-3',6'-Dihydroxy-5-Isothiocyanato-Spiro[Isobenzofuran-1(3H),9'-[9H]Xanthen]-3-One
[CAS# 60520-47-0]

Identification

• Name: 2',4',5',7'-Tetrabromo-3',6'-Dihydroxy-5-Isothiocyanato-Spiro[Isobenzofuran-1(3H),9'-[9H]Xanthen]-3-One
• Synonyms: 2',4',5',7'-Tetrabromo-3',6'-Dihydroxy-6-Isothiocyanato-Spiro[Isobenzofuran-3,9'-Xanthene]-1-One; 2',4',5',7'-Tetrabromo-3',6'-Dihydroxy-6-Isothiocyanato-1-Spiro[Isobenzofuran-3,9'-Xanthene]One; 2',4',5',7'-Tetrabromo-3',6'-Dihydroxy-6-Isothiocyanato-Spiro[2-Benzofuran-3,9'-Xanthene]-1-One
• Molecular Formula: C₂₁H₇Br₄NO₅S
• Molecular Weight: 704.97
• CAS Registry Number: 60520-47-0
• SMILES: S=C=NC1=CC=C2C(=C1)C(=O)OC24C3=CC(=C(C(=C3OC5=C(Br)C(=C(C=C45)Br)O)Br)O)Br
• InChI: 1S/C21H7Br4NO5S/c22-12-4-10-18(14(24)16(12)27)30-19-11(5-13(23)17(28)15(19)25)21(10)9-2-1-7(26-6-32)3-8(9)20(29)31-21/h1-5,27-28H
• InChIKey: XHXYXYGSUXANME-UHFFFAOYSA-N

Properties

• Density: 2.337g/cm³ (Cal.)
• Boiling point: 719.089°C at 760 mmHg (Cal.)
• Flash point: 388.691°C (Cal.)