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6-Bromo-3-hydroxy-1,3-dihydro-2-benzofuran-1-one - ≥98% , CAS No.1225206-60-9
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Storage
Room temperature
Shipped In
Normal
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Why this grade
≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Normal Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
| Canonical Smiles | C1=CC2=C(C=C1Br)C(=O)OC2O |
|---|---|
| IUPAC Name | 6-bromo-3-hydroxy-3H-2-benzofuran-1-one |
| InChIKey | FGBSHOWTOFSDAZ-UHFFFAOYSA-N |
| INCHI | 1S/C8H5BrO3/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3,7,10H |
| Isomeric SMILES | C1=CC2=C(C=C1Br)C(=O)OC2O |
| PubChem CID | 71084466 |
| Molecular Weight | 229.02 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
- Class Benzofurans
- Subclass Benzofuranones
- Class Benzofurans
- Superclass Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzofurans |
| Subclass | Benzofuranones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzofuranones |
| Alternative Parents | Phthalides Benzenoids Aryl bromides Lactones Hemiacetals Carboxylic acid esters Oxacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Isobenzofuranone - Benzofuranone - Phthalide - Isocoumaran - Aryl bromide - Aryl halide - Benzenoid - Carboxylic acid ester - Hemiacetal - Lactone - Carboxylic acid derivative - Oxacycle - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organobromide - 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 |
3D Structure
Interactive Chemical Structure Model
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 229.030 g/mol |
|---|---|
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 227.942 Da |
| Monoisotopic Mass | 227.942 Da |
| Topological Polar Surface Area | 46.500 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 206.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
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