8-Chloro-2-hydroxyquinoline - ≥97% , CAS No.23981-25-1

CAS: 23981-25-1 Cat. No.: C168922 Fórmula: C₉H₆ClNO Peso molecular: 179.6 Número CE: 624-393-9

GRADE & PURITY ≥97%

Synonyms

2(1H)-Quinolinone, 8-chloro- | 2-hydroxy-8-chloroquinoline | 8-Chloro-quinolin-2-ol | 8-CHLOROQUINOLIN-2-OL | 8-chloroquinolone | MFCD03427166 | YAA98125 | 8-chloroquinolin-2(1H)-one | BDBM50459808 | CHEBI:48990 | 8-Chloro-2-hydroxyquinoline, 97% | AKOS01

Storage

Room temperature

Shipped In

Normal

Visão geral

application：

8-Chloro-2-hydroxyquinoline [8-chloroquinolin-2(1H)-one] may be used to synthesize 8-chloro-2-(2-oxo-2-phenylethoxy)quinoline and 8-chloro-2-(2-oxopropoxy)quinolone.

Specifications

Sinónimos

2(1H)-Quinolinone, 8-chloro- | 2-hydroxy-8-chloroquinoline | 8-Chloro-quinolin-2-ol | 8-CHLOROQUINOLIN-2-OL | 8-chloroquinolone | MFCD03427166 | YAA98125 | 8-chloroquinolin-2(1H)-one | BDBM50459808 | CHEBI:48990 | 8-Chloro-2-hydroxyquinoline, 97% | AKOS01

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

• Pubchem Sid: 504762920
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762920
• Sorrisos canónicos: C1=CC2=C(C(=C1)Cl)NC(=O)C=C2
• IUPAC Name: 8-chloro-1H-quinolin-2-one
• InChIKey: JNXUGJMCFLONJN-UHFFFAOYSA-N
• INCHI: 1S/C9H6ClNO/c10-7-3-1-2-6-4-5-8(12)11-9(6)7/h1-5H,(H,11,12)
• SMILES isoméricas: C1=CC2=C(C(=C1)Cl)NC(=O)C=C2
• WGK Alemanha: 3
• Peso molecular: 179.6
• Reaxy-Rn: 1526636
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1526636&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Quinolines and derivatives
      • Subclass Quinolones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Quinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinolones
• Alternative Parents: Chloroquinolines Hydroquinolines Pyridinones Benzenoids Aryl chlorides Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Haloquinoline - Dihydroquinolone - Chloroquinoline - Dihydroquinoline - Pyridinone - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Lactam - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone group.
• External Descriptors: organochlorine compound - quinolone

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

Alvos associados (humanos)

CA12 Tclin Carbonic anhydrase 12 (1 Activities)

Discover Target: CA12

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CA9 Tclin Carbonic anhydrase 9 (1 Activities)

Discover Target: CA9

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

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

CA1 Tclin Carbonic anhydrase I (13240 Activities)

Discover Target: CA1

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

CA12 Tclin Carbonic anhydrase XII (6231 Activities)

Discover Target: CA12

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

Mecanismos de ação

Propriedades químicas e físicas

• Ponto de fusão (°C): 209-212 °C (lit.)
• Peso molecular: 179.600 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 179.014 Da
• Monoisotopic Mass: 179.014 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 227.000
• 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