≥98%(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.
| Canonical Smiles | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=C(C=C4)Cl)S(=O)(=O)[O-])N.[Na+] |
|---|---|
| IUPAC Name | sodium;1-amino-4-(4-chloroanilino)-9,10-dioxoanthracene-2-sulfonate |
| InChIKey | KINIBOSGQKLOIT-UHFFFAOYSA-M |
| INCHI | 1S/C20H13ClN2O5S.Na/c21-10-5-7-11(8-6-10)23-14-9-15(29(26,27)28)18(22)17-16(14)19(24)12-3-1-2-4-13(12)20(17)25;/h1-9,23H,22H2,(H,26,27,28);/q;+1/p-1 |
| Isomeric SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=C(C=C4)Cl)S(=O)(=O)[O-])N.[Na+] |
| PubChem CID | 24868311 |
| Molecular Weight | 450.83 |
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.
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| Solubility | Solvent:DMSO, Max Conc. mg/mL: 45.08, Max Conc. mM: 100 |
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| Molecular Weight | 450.800 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 450.005 Da |
| Monoisotopic Mass | 450.005 Da |
| Topological Polar Surface Area | 138.000 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 |
