3',6'-Dihydroxy-4',5'-Diiodo-6-Isothiocyanatospiro[2-Benzofuran-3,9'-Xanthene]-1-One
[CAS# 76391-89-4]

Identification

• Name: 3',6'-Dihydroxy-4',5'-Diiodo-6-Isothiocyanatospiro[2-Benzofuran-3,9'-Xanthene]-1-One
• Synonyms: 3',6'-Dihydroxy-4',5'-Diiodo-6-Isothiocyanato-Spiro[Isobenzofuran-3,9'-Xanthene]-1-One; 3',6'-Dihydroxy-4',5'-Diiodo-6-Isothiocyanato-1-Spiro[Isobenzofuran-3,9'-Xanthene]One; 3',6'-Dihydroxy-4',5'-Diiodo-6-Isothiocyanato-Spiro[2-Benzofuran-3,9'-Xanthene]-1-One
• Molecular Formula: C₂₁H₉I₂NO₅S
• Molecular Weight: 641.17
• CAS Registry Number: 76391-89-4
• SMILES: S=C=NC5=CC1=C(C2(OC1=O)C4=C(OC3=C2C=CC(=C3I)O)C(=C(O)C=C4)I)C=C5
• InChI: 1S/C21H9I2NO5S/c22-16-14(25)5-3-12-18(16)28-19-13(4-6-15(26)17(19)23)21(12)11-2-1-9(24-8-30)7-10(11)20(27)29-21/h1-7,25-26H
• InChIKey: IMYGGUMSYXRHLN-UHFFFAOYSA-N

Properties

• Density: 2.237g/cm³ (Cal.)
• Boiling point: 692.196°C at 760 mmHg (Cal.)
• Flash point: 372.427°C (Cal.)