≥95% 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 | CCOC(=O)C1=CC=CC=C1C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)Br)[O-])Br)Br)Br.[K+] |
|---|---|
| IUPAC Name | potassium;2,4,5,7-tetrabromo-9-(2-ethoxycarbonylphenyl)-6-oxoxanthen-3-olate |
| InChIKey | UKZQEOHHLOYJLY-UHFFFAOYSA-M |
| INCHI | 1S/C22H12Br4O5.K/c1-2-30-22(29)10-6-4-3-5-9(10)15-11-7-13(23)18(27)16(25)20(11)31-21-12(15)8-14(24)19(28)17(21)26;/h3-8,27H,2H2,1H3;/q;+1/p-1 |
| Isomeric SMILES | CCOC(=O)C1=CC=CC=C1C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)Br)[O-])Br)Br)Br.[K+] |
| WGK Germany | 3 |
| Molecular Weight | 714.03 |
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 | Benzoic acid esters Benzoyl derivatives Phenoxides Aryl bromides Heteroaromatic compounds Cyclic ketones Carboxylic acid esters Oxacyclic compounds Organic metal halides Monocarboxylic acids and derivatives Organobromides Organic zwitterions Organic potassium salts Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Xanthene - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Phenoxide - Aryl bromide - Benzenoid - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Cyclic ketone - Carboxylic acid ester - Oxacycle - Organic alkali metal salt - Organic metal halide - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic potassium salt - Organohalogen compound - Organobromide - Organooxygen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic zwitterion - Organic salt - 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 | organic potassium salt |
| Refractive Index | n20D1.77 (Predicted) |
|---|---|
| Flash Point(°C) | 353.8ºC |
| Boil Point(°C) | 661.5ºC at 760 mmHg |
| Molecular Weight | 714.000 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 713.694 Da |
| Monoisotopic Mass | 709.698 Da |
| Topological Polar Surface Area | 75.700 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 886.000 |
| 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 | 2 |
