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

CAS: 23981-25-1 Cat. No.: C168922 分子式: C₉H₆ClNO 分子量: 179.6 EC番号: 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

概要

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

同義語

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

仕様と純度

≥97%

保管条件

Room temperature

入荷

Normal

純度

≥97%

名前と識別子

• パブケム・シド: 504762920
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504762920
• カノニカル・スマイル: 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)
• 異性体SMILES: C1=CC2=C(C(=C1)Cl)NC(=O)C=C2
• WGKドイツ: 3
• 分子量: 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
    • 分類 Quinolines and derivatives
      • Subclass Quinolones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

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CA1 Tclin Carbonic anhydrase I (13240 Activities)

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CA12 Tclin Carbonic anhydrase XII (6231 Activities)

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作用メカニズム

化学的性質と物理的性質

• 融点（°C）: 209-212 °C (lit.)
• 分子量: 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