2,3-Dichloroquinoline - ≥98% , CAS No.613-18-3

CAS: 613-18-3 Cat. No.: D194194 Summenformel: C₉H₅Cl₂N Molekulargewicht: 198.05 EG-Nummer: 829-256-9

GRADE & PURITY ≥98%

Synonyms

2,3-dichloroquinoline|613-18-3|dichloroquinoline|Quinoline, 2,3-dichloro-|8HU5Y56QYL|MFCD00234477|UNII-8HU5Y56QYL|SCHEMBL244868|DTXSID90450853|KWVNKWCJDAWNAE-UHFFFAOYSA-N|AKOS006271920|SB67940|AS-30808|SY111814|FT-0731278|EN300-307661|A868743|F0001-2442

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

2,3-dichloroquinoline | 613-18-3 | dichloroquinoline | Quinoline, 2,3-dichloro- | 8HU5Y56QYL | MFCD00234477 | UNII-8HU5Y56QYL | SCHEMBL244868 | DTXSID90450853 | KWVNKWCJDAWNAE-UHFFFAOYSA-N | AKOS006271920 | SB67940 | AS-30808 | SY111814 | FT-0731278 | EN300-307661 | A868743 | F0001-2442

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Kanonisches Lächeln: C1=CC=C2C(=C1)C=C(C(=N2)Cl)Cl
• IUPAC Name: 2,3-dichloroquinoline
• InChIKey: KWVNKWCJDAWNAE-UHFFFAOYSA-N
• INCHI: 1S/C9H5Cl2N/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5H
• Isomere SMILES: C1=CC=C2C(=C1)C=C(C(=N2)Cl)Cl
• Molekulargewicht: 198.05
• Reaxy-Rn: 120172
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=120172&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: Polyhalopyridines 2-halopyridines Benzenoids Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chloroquinoline - Polyhalopyridine - 2-halopyridine - Benzenoid - Pyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 198.050 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 196.98 Da
• Monoisotopic Mass: 196.98 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 163.000
• 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