≥94% 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.
Maximum Absorption Wavelength:612nm
| Pubchem Sid | 488200487 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488200487 |
| Canonical Smiles | CC1=C(C(=C(C=C1C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4C)Br)[O-])Br)Br)O)Br.[Na+] |
| IUPAC Name | sodium;2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxy-2-methylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-3-methylphenolate |
| InChIKey | HEFSGAHJDGZCHA-UHFFFAOYSA-M |
| INCHI | 1S/C21H14Br4O5S.Na/c1-9-12(7-14(22)19(26)17(9)24)21(13-8-15(23)20(27)18(25)10(13)2)11-5-3-4-6-16(11)31(28,29)30-21;/h3-8,26-27H,1-2H3;/q;+1/p-1 |
| Isomeric SMILES | CC1=C(C(=C(C=C1C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4C)Br)[O-])Br)Br)O)Br.[Na+] |
| Alternate CAS | 62625-32-5 |
| Molecular Weight | 720.00 |
| Reaxy-Rn | 20816833 |
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 Benzoxathioles Meta cresols O-bromophenols Toluenes Phenoxides Bromobenzenes Aryl bromides Organosulfonic acid esters Organic metal halides Oxacyclic compounds Organobromides Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Organic cations |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzofuranone - Phthalide - Benzoxathiole - 2-halophenol - M-cresol - 2-bromophenol - Bromobenzene - Halobenzene - Phenol - Phenoxide - Toluene - Organosulfonic acid ester - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic alkali metal salt - Organic metal halide - Oxacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic salt - Organic oxygen compound - Organic sodium salt - Organohalogen compound - Organobromide - Organic cation - 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F2302947 | Certificate of Analysis | Mar 13, 2026 | B404977 |
| F2302948 | Certificate of Analysis | Mar 13, 2026 | B404977 |
| E2315138 | Certificate of Analysis | Feb 05, 2026 | B404977 |
| E2315173 | Certificate of Analysis | Feb 05, 2026 | B404977 |
| E2315181 | Certificate of Analysis | Feb 05, 2026 | B404977 |
| E2315185 | Certificate of Analysis | Feb 05, 2026 | B404977 |
| E2315151 | Certificate of Analysis | Mar 25, 2023 | B404977 |
| E2315152 | Certificate of Analysis | Mar 25, 2023 | B404977 |
| Melt Point(°C) | 230 °C(dec.) |
|---|---|
| Molecular Weight | 720.000 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 719.707 Da |
| Monoisotopic Mass | 715.711 Da |
| Topological Polar Surface Area | 95.000 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 785.000 |
| 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 | 2 |
