5-Chloro-8-quinolinol - ≥97% , CAS No.130-16-5

CAS: 130-16-5 Cat. No.: C118366 Summenformel: C₉H₆ClNO Molekulargewicht: 179.6 Beilstein Registry Number: 5289 EG-Nummer: 204-978-1

QUALITÄT & REINHEIT ≥97%

Synonyms

5-CHLORO-8-HYDROXYQUINOLINE|5-Chlorooxine

Storage

Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

5-CHLORO-8-HYDROXYQUINOLINE | 5-Chlorooxine

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Aktionsart

INHIBITOR

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

504750612

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504750612

Kanonisches Lächeln

C1=CC2=C(C=CC(=C2N=C1)O)Cl

IUPAC Name

5-chloroquinolin-8-ol

InChIKey

CTQMJYWDVABFRZ-UHFFFAOYSA-N

INCHI

1S/C9H6ClNO/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H

Isomere SMILES

C1=CC2=C(C=CC(=C2N=C1)O)Cl

WGK Deutschland

3

RTECS

VC4590000

Molekulargewicht

179.6

Beilstein

5289

Reaxy-Rn

5289

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5289&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Quinolines and derivatives
      • Subclass Haloquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Quinolines and derivatives
• Subclass: Haloquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Chloroquinolines
• Alternative Parents: 8-hydroxyquinolines 1-hydroxy-2-unsubstituted benzenoids Pyridines and derivatives Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chloroquinoline - 8-hydroxyquinoline - 1-hydroxy-2-unsubstituted benzenoid - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as chloroquinolines. These are compounds containing a quinoline moiety, which carries one or more chlorine atoms.
• 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

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MT4 (17854 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility in hot Methanol
• Schmelzpunkt (°C): 122-124°C
• Molekulargewicht: 179.600 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 179.014 Da
• Monoisotopic Mass: 179.014 Da
• Topological Polar Surface Area: 33.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 165.000
• 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