2-Chlorchinolin - ≥98% , CAS No.612-62-4

CAS: 612-62-4 Cat. No.: C110279 Summenformel: C₉H₆ClN Molekulargewicht: 163.6 Beilstein Registry Number: 112561 EG-Nummer: 210-317-8

GRADE & PURITY ≥98%

Synonyms

InChI=1/C9H6ClN/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H | NSC 6163 | NSC-6163 | SR-01000390732-1 | AC-2439 | CHLOROQUINOLINE, 2- | 2-Chloroquinoline, 99% | Chloroquinoline | EINECS 210-317-8 | F0451-0421 | AI3-08909 | chioroquinoline | Quinoline, chloro- | OFU

Storage

Lagerung bei 2-8°C, Argon geladen

Shipped In

Nasses Eis

Übersicht

2-Chlorchinolin ist ein wichtiger Rohstoff und ein Zwischenprodukt, das in der organischen Synthese, in Arzneimitteln, Agrochemikalien und Farbstoffen verwendet wird. Durch Reaktion mit Benzotriazol und anschließende Zyklisierung unter Verlust von Stickstoff entsteht das Indolo[2,3-b]chinolin-Ringsystem, das in neuartigen zytotoxischen DNA-Topoisomerase-II-Inhibitoren verwendet wird.

Specifications

Synonyme

InChI=1/C9H6ClN/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H | NSC 6163 | NSC-6163 | SR-01000390732-1 | AC-2439 | CHLOROQUINOLINE, 2- | 2-Chloroquinoline, 99% | Chloroquinoline | EINECS 210-317-8 | F0451-0421 | AI3-08909 | chioroquinoline | Quinoline, chloro- | OFU

Spezifikationen & Reinheit

≥98%

Storage

Lagerung bei 2-8°C, Argon geladen

Verschickt in

Nasses Eis

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488181483

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181483

Kanonisches Lächeln

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

IUPAC Name

2-chloroquinoline

InChIKey

OFUFXTHGZWIDDB-UHFFFAOYSA-N

INCHI

1S/C9H6ClN/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H

Isomere SMILES

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

WGK Deutschland

3

RTECS

VB2320000

Molekulargewicht

163.6

Beilstein

112561

Reaxy-Rn

112561

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=112561&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (nicht menschlich)

Leishmania donovani (89745 Activities)

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Toxoplasma gondii (4585 Activities)

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J774.A1 (2436 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in ethanol, ether, methanol, and chloroform. Insoluble in water.
• Empfindlichkeit: air sensitive& heat sensitive
• Flammpunkt (°F): >230 °F
• Flammpunkt (°C): >110 °C
• Siedepunkt (°C): 266-267°C
• Schmelzpunkt (°C): 34-37°C
• Molekulargewicht: 163.600 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 163.019 Da
• Monoisotopic Mass: 163.019 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 138.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 612-62-4, the molecular formula is C9H6ClN, and the molecular weight is 163.6 g/mol. InChIKey OFUFXTHGZWIDDB-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.