≥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 | C1=CC=C(C(=C1)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)[N+](=O)[O-])[O-])Br)Br)[N+](=O)[O-])C(=O)[O-].[Na+].[Na+] |
|---|---|
| IUPAC Name | disodium;2-(4,5-dibromo-2,7-dinitro-3-oxido-6-oxoxanthen-9-yl)benzoate |
| InChIKey | GYYTYUGGVBYJHE-UHFFFAOYSA-L |
| INCHI | 1S/C20H8Br2N2O9.2Na/c21-14-16(25)11(23(29)30)5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(24(31)32)17(26)15(22)19(10)33-18(9)14;;/h1-6,25H,(H,27,28);;/q;2*+1/p-2 |
| Molecular Weight | 624.100 |
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 acids Benzoyl derivatives Nitroaromatic compounds Phenoxides Aryl bromides Heteroaromatic compounds Carboxylic acid salts Cyclic ketones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organic metal halides Organic oxoazanium compounds Organic zwitterions Hydrocarbon derivatives Organonitrogen compounds Organic sodium salts Organopnictogen compounds Organic oxides Organobromides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Xanthene - Benzoic acid or derivatives - Benzoic acid - Nitroaromatic compound - Benzoyl - Phenoxide - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid salt - C-nitro compound - Organic nitro compound - Cyclic ketone - Allyl-type 1,3-dipolar organic compound - Organic alkali metal salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic metal halide - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic sodium salt - Organohalogen compound - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organopnictogen compound - 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 | Not available |
| Molecular Weight | 624.100 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 1 |
| Exact Mass | 623.821 Da |
| Monoisotopic Mass | 621.824 Da |
| Topological Polar Surface Area | 181.000 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 962.000 |
| 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 | 3 |
![Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 4',5'-dibromo-3',6'-dihydroxy-2',7'-dinitro-, sodium salt (1:2) - ≥98% , CAS No.29090](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)