8-Hydroxyquinoline-5-sulfonic acid monohydrate - ≥98% , CAS No.283158-18-9

CAS: 283158-18-9 Cat. No.: H134907 Molecular Weight: 243.24 Beilstein Registry Number: 22407 EC Number: 621-192-8

GRADE & PURITY ≥98%

Synonyms

DSSTox_GSID_44317 | 8-Quinolinone-5-sulfonic Acid Monohydrate | DSSTox_RID_80150 | J-519446 | 8-Hydroxy-5-quinolinesulfonic acid monohydrate | FT-0621555 | 5-Quinolinesulfonicacid, 8-hydroxy-, hydrate (1:1) | SCHEMBL505393 | DTXSID2058754 | FT-0778184 | A

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

DSSTox_GSID_44317 | 8-Quinolinone-5-sulfonic Acid Monohydrate | DSSTox_RID_80150 | J-519446 | 8-Hydroxy-5-quinolinesulfonic acid monohydrate | FT-0621555 | 5-Quinolinesulfonicacid, 8-hydroxy-, hydrate (1:1) | SCHEMBL505393 | DTXSID2058754 | FT-0778184 | A

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC2=C(C=CC(=C2N=C1)O)S(=O)(=O)O.O
• IUPAC Name: 8-hydroxyquinoline-5-sulfonic acid;hydrate
• InChIKey: WUXYGIQVWKDVTJ-UHFFFAOYSA-N
• INCHI: 1S/C9H7NO4S.H2O/c11-7-3-4-8(15(12,13)14)6-2-1-5-10-9(6)7;/h1-5,11H,(H,12,13,14);1H2
• Isomeric SMILES: C1=CC2=C(C=CC(=C2N=C1)O)S(=O)(=O)O.O
• RTECS: VC2570000
• Molecular Weight: 243.24
• Beilstein: 22407
• Reaxy-Rn: 20366664
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20366664&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Hydroxyquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Hydroxyquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxyquinolines
• Alternative Parents: 8-hydroxyquinolines 1-sulfo,2-unsubstituted aromatic compounds 1-hydroxy-2-unsubstituted benzenoids Pyridines and derivatives Sulfonyls Organosulfonic acids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hydroxyquinoline - 8-hydroxyquinoline - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Pyridine - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Sulfonyl - Organosulfonic acid - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as hydroxyquinolines. These are compounds containing a quinoline moiety bearing a hydroxyl group.
• 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: 243.240 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 243.02 Da
• Monoisotopic Mass: 243.02 Da
• Topological Polar Surface Area: 96.900 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 323.000
• 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

XLogP3

References

1. Yusha Huang, Longcheng Gong, Chengli Xie, Wenling Qin, Min Wang, Lianzhe Hu, Zhining Xia.  (2025)  Anchoring biomimetic Zn site in metal–organic framework nanozyme to enhance phosphatase-like catalytic activity for discrimination of organophosphorus pesticides.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.160046]