4',5'-Dibromo-3',6'-Dihydroxy-2',7'-Dimethylspiro[Isobenzofuran-1(3H),9'-[9H]Xanthene]-3-One
[CAS# 6627-40-3]

Identification

• Name: 4',5'-Dibromo-3',6'-Dihydroxy-2',7'-Dimethylspiro[Isobenzofuran-1(3H),9'-[9H]Xanthene]-3-One
• Synonyms: 4',5'-Dibromo-3',6'-Dihydroxy-2',7'-Dimethyl-Spiro[Isobenzofuran-3,9'-Xanthene]-1-One; 4',5'-Dibromo-3',6'-Dihydroxy-2',7'-Dimethyl-1-Spiro[Isobenzofuran-3,9'-Xanthene]One; 4',5'-Dibromo-3',6'-Dihydroxy-2',7'-Dimethyl-Spiro[2-Benzofuran-3,9'-Xanthene]-1-One
• Molecular Formula: C₂₂H₁₄Br₂O₅
• Molecular Weight: 518.16
• CAS Registry Number: 6627-40-3
• EINECS: 229-593-6
• SMILES: C1=C(C(=C(Br)C4=C1C2(OC(=O)C3=C2C=CC=C3)C5=C(O4)C(=C(O)C(=C5)C)Br)O)C
• InChI: 1S/C22H14Br2O5/c1-9-7-13-19(15(23)17(9)25)28-20-14(8-10(2)18(26)16(20)24)22(13)12-6-4-3-5-11(12)21(27)29-22/h3-8,25-26H,1-2H3
• InChIKey: KCHVZEAMZOXQJI-UHFFFAOYSA-N

Properties

• Density: 1.96g/cm³ (Cal.)
• Boiling point: 631.285°C at 760 mmHg (Cal.)
• Flash point: 335.589°C (Cal.)