2,4-dicloroquinolina - ≥98% , CAS No.703-61-7

CAS: 703-61-7 Cat. No.: D135675 Peso molecular: 198.05 Número EC: 640-568-2

GRADE & PURITY ≥98%

Synonyms

AR3674 | DTXSID60345843 | SY047605 | AF-753/00295002 | BCP20135 | MFCD00023939 | 2,4-Dichloroquinoline | 2,4-dichloro-quinoline | A9283 | 2,4-Dichloro quinoline | AM804253 | 2,4-bis(chloranyl)quinoline | AKOS005264636 | Quinoline, 2,4-dichloro- | SCHEMBL3

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AR3674 | DTXSID60345843 | SY047605 | AF-753/00295002 | BCP20135 | MFCD00023939 | 2, 4-Dichloroquinoline | 2, 4-dichloro-quinoline | A9283 | 2, 4-Dichloro quinoline | AM804253 | 2, 4-bis(chloranyl)quinoline | AKOS005264636 | Quinoline, 2, 4-dichloro- | SCHEMBL3

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488190691
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190691
• Sonrisas canónicas: C1=CC=C2C(=C1)C(=CC(=N2)Cl)Cl
• IUPAC Name: 2,4-dichloroquinoline
• InChIKey: QNBJYUUUYZVIJP-UHFFFAOYSA-N
• INCHI: 1S/C9H5Cl2N/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5H
• Isómeros SMILES: C1=CC=C2C(=C1)C(=CC(=N2)Cl)Cl
• WGK Alemania: 3
• Peso molecular: 198.05
• Reaxy-Rn: 4599
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4599&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolines and derivatives
      • Subclass Haloquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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 Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chloroquinoline - Polyhalopyridine - 2-halopyridine - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Punto de ebullición (°C): 282 °C
• Punto de fusión (°C): 65 °C
• Peso molecular: 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