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

CAS: 703-61-7 Cat. No.: D135675 分子式: C₉H₅Cl₂N 分子量: 198.05 EC番号: 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

同義語

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

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

488190691

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488190691

カノニカル・スマイル

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

異性体SMILES

C1=CC=C2C(=C1)C(=CC(=N2)Cl)Cl

WGKドイツ

3

分子量

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
    • 分類 Quinolines and derivatives
      • Subclass Haloquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Soluble in Methanol
• 沸点（°C）: 282 °C
• 融点（°C）: 65 °C
• 分子量: 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