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· · COA & SDS available for every product · Same-day shipping on in-stock items PSB 069 - ≥98%(HPLC) , CAS No.78510-31-3
Synonyms
1-Amino-4-(4-chlorophenyl)aminoanthraquinone-2-sulfonic acid sodium salt
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Why this grade ≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
1-Amino-4-(4-chlorophenyl)aminoanthraquinone-2-sulfonic acid sodium salt
Specifications & Purity
≥98%(HPLC)
Biochemical and Physiological Mechanisms
Non-selective nucleoside triphosphate diphosphohydrolase (NTPDase) inhibitor. Reported to inhibit rat NTPDases 1, 2 and 3 with similar potencies.
Names and Identifiers 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
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Benzenoids Class Anthracenes Subclass Anthraquinones Intermediate Tree Nodes Not available Direct Parent Anthraquinones Alternative Parents 1-sulfo,2-unsubstituted aromatic compounds Aniline and substituted anilines Aryl ketones Chlorobenzenes Aryl chlorides Primary aromatic amines Sulfonyls Vinylogous amides Organosulfonic acids Organic metal halides Secondary amines Organic sodium salts Organic oxides Hydrocarbon derivatives Organochlorides Organic cations Molecular Framework Aromatic homopolycyclic compounds Substituents 9,10-anthraquinone - Anthraquinone - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Aniline or substituted anilines - Aryl ketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Primary aromatic amine - Vinylogous amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Ketone - Secondary amine - Organic metal halide - Organic alkali metal salt - Organic salt - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organosulfur compound - Amine - Organic sodium salt - Primary amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen 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 Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Solvent:DMSO, Max Conc. mg/mL: 45.08, Max Conc. mM: 100 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
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