≥80%(T) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC(=CC=C1C2(C3=C(C(=C(C(=C3Br)Br)Br)Br)C(=O)O2)C4=CC=C(C=C4)O)O |
|---|---|
| IUPAC Name | 4,5,6,7-tetrabromo-3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one |
| InChIKey | GNJLVMKERYSIAI-UHFFFAOYSA-N |
| INCHI | 1S/C20H10Br4O4/c21-15-13-14(16(22)18(24)17(15)23)20(28-19(13)27,9-1-5-11(25)6-2-9)10-3-7-12(26)8-4-10/h1-8,25-26H |
| Isomeric SMILES | C1=CC(=CC=C1C2(C3=C(C(=C(C(=C3Br)Br)Br)Br)C(=O)O2)C4=CC=C(C=C4)O)O |
| PubChem CID | 83058 |
| Molecular Weight | 633.91 |
| Reaxy-Rn | 356830 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzofurans |
| Subclass | Benzofuranones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzofuranones |
| Alternative Parents | Phthalides 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Aryl bromides Vinylogous halides Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Isobenzofuranone - Benzofuranone - Phthalide - Isocoumaran - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous halide - Carboxylic acid ester - Lactone - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organobromide - Organic oxide - Organohalogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzofuranones. These are organic compounds containing a benzene ring fused to a furanone. |
| External Descriptors | Not available |
| Molecular Weight | 633.900 g/mol |
|---|---|
| XLogP3 | 6.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 633.727 Da |
| Monoisotopic Mass | 629.731 Da |
| Topological Polar Surface Area | 66.800 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 567.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
