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| IUPAC Name: | 4-bromo-3H-2-benzofuran-1-one |
| Description: | 4-Bromoisobenzofuran-1(3H)-one (CAS# 102308-43-0) is a versatile reactant used in various syntheses. It is used in preparation of Citalopram (C505000) analogs via Suzuki coupling. 4-Bromo-2-benzofuran-1[3H]-one is used in the synthesis of butylphthalide derivatives possessing vasorelaxant activity. Also used in the synthesis of Pentacyclines that are Tetracycline (T291400) analogs. |
| Molecular Weight: | 213.03 |
| Molecular Formula: | C8H5BrO2 |
| Canonical SMILES: | C1C2=C(C=CC=C2Br)C(=O)O1 |
| InChI: | InChI=1S/C8H5BrO2/c9-7-3-1-2-5-6(7)4-11-8(5)10/h1-3H,4H2 |
| InChI Key: | MACJSJRQNWAGJM-UHFFFAOYSA-N |
| Boiling Point: | 378.209 °C at 760 mmHg |
| Density: | 1.743 g/cm3 |
| Storage: | Sealed in dry, Room Temperature |
| MDL: | MFCD06412577 |
| LogP: | 2.11950 |
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