≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | CC(=O)OC1=C(C=C2C(=C1Br)OC3=C(C(=C(C=C3C24C5=CC=CC=C5C(=O)O4)Br)OC(=O)C)Br)Br |
|---|---|
| IUPAC Name | (6'-acetyloxy-2',4',5',7'-tetrabromo-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate |
| InChIKey | ADWIDTFZSUABGT-UHFFFAOYSA-N |
| INCHI | 1S/C24H12Br4O7/c1-9(29)32-21-15(25)7-13-19(17(21)27)34-20-14(8-16(26)22(18(20)28)33-10(2)30)24(13)12-6-4-3-5-11(12)23(31)35-24/h3-8H,1-2H3 |
| Isomeric SMILES | CC(=O)OC1=C(C=C2C(=C1Br)OC3=C(C(=C(C=C3C24C5=CC=CC=C5C(=O)O4)Br)OC(=O)C)Br)Br |
| Molecular Weight | 732.0 |
| Reaxy-Rn | 71271 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=71271&ln= |
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 | Benzopyrans |
| Subclass | 1-benzopyrans |
| Intermediate Tree Nodes | Dibenzopyrans |
| Direct Parent | Xanthenes |
| Alternative Parents | Diarylethers Phthalides Benzofuranones Tricarboxylic acids and derivatives Isobenzofurans Benzenoids Aryl bromides Lactones Carboxylic acid esters Oxacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Xanthene - Diaryl ether - Isobenzofuranone - Benzofuranone - Phthalide - Isocoumaran - Isobenzofuran - Tricarboxylic acid or derivatives - Aryl bromide - Aryl halide - Benzenoid - Carboxylic acid ester - Lactone - Oxacycle - Carboxylic acid derivative - Ether - Organic oxygen compound - Organohalogen compound - Organobromide - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring. |
| External Descriptors | Not available |
| Molecular Weight | 732.000 g/mol |
|---|---|
| XLogP3 | 6.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 731.728 Da |
| Monoisotopic Mass | 727.732 Da |
| Topological Polar Surface Area | 88.100 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 838.000 |
| 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 |
