≥97%(HPLC) 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.
| Pubchem Sid | 488200443 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488200443 |
| Canonical Smiles | CC1=CC(=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)[O-].[Na+] |
| IUPAC Name | sodium;2-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]-5-methylbenzenesulfonate |
| InChIKey | GTKIEPUIFBBXJQ-UHFFFAOYSA-M |
| INCHI | 1S/C21H15NO6S.Na/c1-11-6-7-14(17(10-11)29(26,27)28)22-15-8-9-16(23)19-18(15)20(24)12-4-2-3-5-13(12)21(19)25;/h2-10,22-23H,1H3,(H,26,27,28);/q;+1/p-1 |
| Isomeric SMILES | CC1=CC(=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)[O-].[Na+] |
| Molecular Weight | 431.39 |
| Reaxy-Rn | 8817464 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8817464&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 | Benzenoids |
| Class | Anthracenes |
| Subclass | Anthraquinones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Anthraquinones |
| Alternative Parents | Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Aminotoluenes Aniline and substituted anilines Aryl ketones 1-hydroxy-2-unsubstituted benzenoids Primary aromatic amines Organosulfonic acids Vinylogous amides Sulfonyls Vinylogous acids Secondary amines Hydrocarbon derivatives Organic sodium salts Organic oxides Organic cations |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | 9,10-anthraquinone - Anthraquinone - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Aryl ketone - Aminotoluene - Aniline or substituted anilines - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Toluene - Monocyclic benzene moiety - Primary aromatic amine - Vinylogous acid - Vinylogous amide - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ketone - Organic alkali metal salt - Secondary amine - Organic salt - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic sodium salt - Organic oxygen compound - Organic cation - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone. |
| 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 |
|---|---|---|---|
 F2205396 | Certificate of Analysis | Mar 13, 2026 | A151709 |
| K2113285 | Certificate of Analysis | Aug 13, 2025 | A151709 |
| K2113323 | Certificate of Analysis | Aug 13, 2025 | A151709 |
| C2125142 | Certificate of Analysis | Jan 08, 2025 | A151709 |
| C2307705 | Certificate of Analysis | May 14, 2022 | A151709 |
| F2205442 | Certificate of Analysis | May 14, 2022 | A151709 |
| F2205521 | Certificate of Analysis | May 14, 2022 | A151709 |
| C2307703 | Certificate of Analysis | Sep 17, 2021 | A151709 |
| F2102025 | Certificate of Analysis | Jun 08, 2021 | A151709 |
| Molecular Weight | 431.400 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 431.044 Da |
| Monoisotopic Mass | 431.044 Da |
| Topological Polar Surface Area | 132.000 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 768.000 |
| 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 |
