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

CAS: 613-18-3 Cat. No.: D194194 Formule: C₉H₅Cl₂N Poids moléculaire: 198.05 Numéro CE: 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

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

• Sourires canoniques: 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
• Isomères SMILES: C1=CC=C2C(=C1)C=C(C(=N2)Cl)Cl
• Poids moléculaire: 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
    • Classe Quinolines and derivatives
      • Subclass Haloquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 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