5-(Bromomethyl)-3',6'-Dihydroxy-Spiro[Isobenzofuran-1(3H),9'-[9H]Xanthen]-3-One
[CAS# 148942-72-7]

Identification

• Name: 5-(Bromomethyl)-3',6'-Dihydroxy-Spiro[Isobenzofuran-1(3H),9'-[9H]Xanthen]-3-One
• Synonyms: 6-(Bromomethyl)-3',6'-Dihydroxy-Spiro[Isobenzofuran-3,9'-Xanthene]-1-One; 6-(Bromomethyl)-3',6'-Dihydroxy-1-Spiro[Isobenzofuran-3,9'-Xanthene]One; 6-(Bromomethyl)-3',6'-Dihydroxy-Spiro[2-Benzofuran-3,9'-Xanthene]-1-One
• Molecular Formula: C₂₁H₁₃BrO₅
• Molecular Weight: 425.23
• CAS Registry Number: 148942-72-7
• SMILES: C1=CC(=CC2=C1C4(OC2=O)C3=CC=C(O)C=C3OC5=C4C=CC(=C5)O)CBr
• InChI: 1S/C21H13BrO5/c22-10-11-1-4-15-14(7-11)20(25)27-21(15)16-5-2-12(23)8-18(16)26-19-9-13(24)3-6-17(19)21/h1-9,23-24H,10H2
• InChIKey: OQHKPJAZGYJYTB-UHFFFAOYSA-N

Properties

• Density: 1.799g/cm³ (Cal.)
• Boiling point: 681.849°C at 760 mmHg (Cal.)
• Flash point: 366.169°C (Cal.)