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

CAS: 612-62-4 Cat. No.: C110279 Formula: C₉H₆ClN Peso molecolare: 163.6 Beilstein Registry Number: 112561 Numero EC: 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

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Panoramica

2-Chloroquinoline is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff. It reacts with benzotriazole, followed by cyclization with loss of nitrogen, gives the indolo[2,3-b]quinoline ring system for use in novel cytotoxic DNA topoisomerase II inhibitors.

Specifications

Sinonimi

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

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488181483

Pubchem Sid Url

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

Sorrisi canonici

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

Isomeri SMILES

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

WGK Germania

3

RTECS

VB2320000

Peso molecolare

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
    • 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
• Descrizione: 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

Obiettivi associati (non umani)

Leishmania donovani (89745 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Toxoplasma gondii (4585 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

J774.A1 (2436 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in ethanol, ether, methanol, and chloroform. Insoluble in water.
• Sensibilità: air sensitive& heat sensitive
• Punto di infiammabilità (°F): >230 °F
• Punto di infiammabilità (°C): >110 °C
• Punto di ebollizione (°C): 266-267°C
• Punto di fusione (°C): 34-37°C
• Peso molecolare: 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

Domande frequenti

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.