4,7-Dichloroquinoline - ≥98%(GC) , CAS No.86-98-6

CAS: 86-98-6 Cat. No.: D155356 Summenformel: C₉H₅Cl₂N Molekulargewicht: 198.05 Beilstein Registry Number: 125359 EG-Nummer: 201-714-7

GRADE & PURITY ≥98%(GC)

Synonyms

TL 1473 | 4,7-bis(chloranyl)quinoline | AM81211 | 4, 7-Dichloroquinoline | BRN 0125359 | NCGC00357128-01 | Amodiaquine Impurity 1 | SY001735 | NSC593 | NSC-593 | 4,7-Dichloroquinoline, 97% | Tox21_303863 | 5-20-07-00316 (Beilstein Handbook Reference) | EI

Storage

Room temperature,Argon charged

Shipped In

Normal

Übersicht

4,7-Dichloroquinoline was used in the synthesis of piperaquine.It was used as starting reagent in the synthesis of {3-amino-5-[(7-chloro-4-quinolyl)amino]phenyl}methanol.

application：

4,7-Dichloroquinoline is used as a drug chloroquine phosphate intermediate. It is also is used in the synthesis of hybrid aminoquinoline-triazine derivatives that show anti-microbial activity. In addition, it is used in the synthesis of novel oxazolidinones as anti-microbial agents showing efficacy against common bacterial strains.

Specifications

Synonyme

TL 1473 | 4,7-bis(chloranyl)quinoline | AM81211 | 4, 7-Dichloroquinoline | BRN 0125359 | NCGC00357128-01 | Amodiaquine Impurity 1 | SY001735 | NSC593 | NSC-593 | 4,7-Dichloroquinoline, 97% | Tox21_303863 | 5-20-07-00316 (Beilstein Handbook Reference) | EI

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

Pubchem Sid

504751190

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751190

Kanonisches Lächeln

C1=CC2=C(C=CN=C2C=C1Cl)Cl

IUPAC Name

4,7-dichloroquinoline

InChIKey

HXEWMTXDBOQQKO-UHFFFAOYSA-N

INCHI

1S/C9H5Cl2N/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H

Isomere SMILES

C1=CC2=C(C=CN=C2C=C1Cl)Cl

WGK Deutschland

3

RTECS

VB4200000

Molekulargewicht

198.05

Beilstein

125359

Reaxy-Rn

125359

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=125359&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: Pyridines and derivatives Benzenoids Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chloroquinoline - 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)

Histidine-rich protein (528 Activities)

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

Plasmodium falciparum (966862 Activities)

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Ferriprotoporphyrin IX (165 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Insoluble in water.
• Flammpunkt (°F): 327°F
• Flammpunkt (°C): 164℃
• Siedepunkt (°C): 148°C/10mmHg(lit.)
• Schmelzpunkt (°C): 81-88℃
• Molekulargewicht: 198.050 g/mol
• XLogP3: 3.600
• 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

Häufig gestellte Fragen

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 86-98-6, the molecular formula is C9H5Cl2N, and the molecular weight is 198.05 g/mol. InChIKey HXEWMTXDBOQQKO-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.