Dipotassium Anthraquinone-1,8-disulfonate - ≥98% , CAS No.14938-42-2

CAS: 14938-42-2 Cat. No.: D155116 Molecular Weight: 444.51 EC Number: 239-017-5

GRADE & PURITY ≥98%

Synonyms

1,8-Anthracenedisulfonicacid,9,10-dihydro-9,10-dioxo-,potassium salt(1:2) | A0505 | DTXSID00164257 | ANTHRAQUINONE-1,8-DISULFONICACIDDIPOTASSIUMSALT | 1,8-ANTHRACENEDISULFONIC ACID, 9,10-DIHYDRO-9,10-DIOXO-, DIPOTASSIUM SALT | Potassium anthraquinone-1,8-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1, 8-Anthracenedisulfonicacid, 9, 10-dihydro-9, 10-dioxo-, potassium salt(1:2) | A0505 | DTXSID00164257 | ANTHRAQUINONE-1, 8-DISULFONICACIDDIPOTASSIUMSALT | 1, 8-ANTHRACENEDISULFONIC ACID, 9, 10-DIHYDRO-9, 10-DIOXO-, DIPOTASSIUM SALT | Potassium anthraquinone-1, 8-

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488183033
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183033
• Canonical Smiles: C1=CC2=C(C(=C1)S(=O)(=O)[O-])C(=O)C3=C(C2=O)C=CC=C3S(=O)(=O)[O-].[K+].[K+]
• IUPAC Name: dipotassium;9,10-dioxoanthracene-1,8-disulfonate
• InChIKey: PWPFDCNGQQSVJK-UHFFFAOYSA-L
• INCHI: 1S/C14H8O8S2.2K/c15-13-7-3-1-5-9(23(17,18)19)11(7)14(16)12-8(13)4-2-6-10(12)24(20,21)22;;/h1-6H,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2
• Isomeric SMILES: C1=CC2=C(C(=C1)S(=O)(=O)[O-])C(=O)C3=C(C2=O)C=CC=C3S(=O)(=O)[O-].[K+].[K+]
• RTECS: CB0554500
• Molecular Weight: 444.51
• Reaxy-Rn: 6763453
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6763453&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Anthracenes
      • Subclass Anthraquinones

• 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 Aryl ketones Sulfonyls Organosulfonic acids Organic potassium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 9,10-anthraquinone - Anthraquinone - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Aryl ketone - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Ketone - Organic alkali metal salt - Organic potassium salt - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic salt - 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 444.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 0
• Exact Mass: 443.878 Da
• Monoisotopic Mass: 443.878 Da
• Topological Polar Surface Area: 165.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 669.000
• 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

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