2,6-Dichloroquinoline - ≥94% , CAS No.1810-72-6

CAS: 1810-72-6 Cat. No.: W615693 Formule: C₉H₅Cl₂N Poids moléculaire: 198.05 Numéro CE: 628-002-2 PubChem CID: 607502

GRADE & PURITY ≥94%

Synonyms

AC-9607 | FT-0654284 | AKOS013153472 | SY024410 | J-011558 | AM84631 | AS-19968 | 2,6-Dichloroquinoline | 2,6-Dichloro-quinoline | 2,6-Dichloroquinoline, 97% | 2,6-dichoroquinoline | A4011 | MFCD03427194 | SCHEMBL198060 | 2,5-diethoxy-4-nitro-benzanilide

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

2,6-Dichloroquinoline can be synthesized from 6-chloroquinoline. It can also be prepared from the corresponding 2-vinylaniline.

Specifications

Synonymes

AC-9607 | FT-0654284 | AKOS013153472 | SY024410 | J-011558 | AM84631 | AS-19968 | 2,6-Dichloroquinoline | 2,6-Dichloro-quinoline | 2,6-Dichloroquinoline, 97% | 2,6-dichoroquinoline | A4011 | MFCD03427194 | SCHEMBL198060 | 2,5-diethoxy-4-nitro-benzanilide

Spécifications et pureté

≥94%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥94%

Noms et identifiants

Pubchem Sid

528755636

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528755636

Sourires canoniques

C1=CC2=C(C=CC(=N2)Cl)C=C1Cl

IUPAC Name

2,6-dichloroquinoline

InChIKey

LPDFGLZUUCLXGM-UHFFFAOYSA-N

INCHI

1S/C9H5Cl2N/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H

Isomères SMILES

C1=CC2=C(C=CC(=N2)Cl)C=C1Cl

WGK Allemagne

3

PubChem CID

607502

Poids moléculaire

198.05

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: 2-halopyridines Benzenoids Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chloroquinoline - 2-halopyridine - Benzenoid - Pyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen 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

• Point d'ébullition (°C): 172°C/13mmHg
• Point de fusion (°C): 160-164°C
• Poids moléculaire: 198.050 g/mol
• XLogP3: 3.300
• 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