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

CAS: 703-61-7 Cat. No.: D135675 Molecular Weight: 198.05 EC Number: 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

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

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488190691
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190691
• Canonical Smiles: 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
• Isomeric SMILES: C1=CC=C2C(=C1)C(=CC(=N2)Cl)Cl
• WGK Germany: 3
• Molecular Weight: 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
    • Class Quinolines and derivatives
      • Subclass Haloquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• 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

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Boil Point(°C): 282 °C
• Melt Point(°C): 65 °C
• Molecular Weight: 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