8-Hydroxyquinoline-5-sulfonic Acid - ≥97% , CAS No.84-88-8

CAS: 84-88-8 Cat. No.: H189222 Molecular Weight: 225.22 EC Number: 201-570-5

GRADE & PURITY ≥97%

Synonyms

8-Quinolinol-5-sulfonic acid | CCRIS 5750 | 8-Hydroxy-5-sulfoquinoline | 8-Hydroxy-5-quinolinesulfonic acid | CCG-19815 | DTXSID7041542 | 8-HYDROXY-5-QUINOLINESULFONIC ACID [MI] | BRN 0195247 | 8-Hydroxyquinoline-5-sulfonate | 8-HYDROXYQUINOLINE-5-SULFONI

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

8-Quinolinol-5-sulfonic acid | CCRIS 5750 | 8-Hydroxy-5-sulfoquinoline | 8-Hydroxy-5-quinolinesulfonic acid | CCG-19815 | DTXSID7041542 | 8-HYDROXY-5-QUINOLINESULFONIC ACID [MI] | BRN 0195247 | 8-Hydroxyquinoline-5-sulfonate | 8-HYDROXYQUINOLINE-5-SULFONI

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488180160
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180160
• Canonical Smiles: C1=CC2=C(C=CC(=C2N=C1)O)S(=O)(=O)O
• IUPAC Name: 8-hydroxyquinoline-5-sulfonic acid
• InChIKey: LGDFHDKSYGVKDC-UHFFFAOYSA-N
• INCHI: 1S/C9H7NO4S/c11-7-3-4-8(15(12,13)14)6-2-1-5-10-9(6)7/h1-5,11H,(H,12,13,14)
• Isomeric SMILES: C1=CC2=C(C=CC(=C2N=C1)O)S(=O)(=O)O
• Molecular Weight: 225.22
• Reaxy-Rn: 195247
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=195247&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

Associated Targets(Human)

COMT Tclin Catechol O-methyltransferase (404 Activities)

Discover Target: COMT

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

METAP1 Tchem Methionine aminopeptidase 1 (614 Activities)

Discover Target: METAP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

METAP2 Tchem Methionine aminopeptidase 2 (1512 Activities)

Discover Target: METAP2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Candida albicans (78123 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Nakaseomyces glabratus (9108 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 225.220 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 225.01 Da
• Monoisotopic Mass: 225.01 Da
• Topological Polar Surface Area: 95.900 Ų
• Heavy Atom Count: 15
• 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: 1

References

1. Qian Wang, Longlong Li, Qinglin Tang, Jin Liu, Yao Wang, Jiuxing Wang, Matt J. Kipper, Haijiao Xie, Laurence A. Belfiore, Jianguo Tang.  (2022)  Ligand-Tuned Multi-Color Luminescence of Single Aluminum (III) Ion Atomic Centers and Their Selective Sensitivity to Different Metal Ions.  Materials,  15  (15): (5199).  [PMID:35955134] [10.3390/ma15155199]

2. Guo Tongtong, Yang Shuang, Chen Yunning, Yang Lu, Sun Yingnan, Shang Qingkun.  (2020)  Photocatalytic kinetics and cyclic stability of photocatalysts Fe-complex/TiO2 in the synergistic degradation of phenolic pollutants and reduction of Cr(VI).  ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH,  28  (10): (12459-12473).  [PMID:33079350] [10.1007/s11356-020-11220-1]

3. Qiqi Wang, Mei Liu, Shuo Wang, Lulu Shi.  (2024)  Synthesis and characterization of a new cucurbit[6]uril-based supramolecular framework and its application in water contaminants detection and anticounterfeiting applications.  JOURNAL OF MOLECULAR STRUCTURE,      [PMID:] [10.1016/j.molstruc.2024.141250]