5-Chlorchinolin - ≥98% , CAS No.635-27-8

CAS: 635-27-8 Cat. No.: C122693 Summenformel: C₉H₆ClN Molekulargewicht: 163.6 Beilstein Registry Number: 114722 EG-Nummer: 626-435-1

GRADE & PURITY ≥98%

Synonyms

BCP32571 | A26229 | FT-0632697 | FS-3377 | SY025840 | EN300-33415 | C2997 | A1-00347 | SB67516 | MFCD00239413 | 5-Chloroquinoline, >=98.0% (GC) | AKOS009156634 | 5-Chloroquinoline | 5-Chloro-quinoline | DTXSID20212901 | Quinoline, 5-chloro-;5-Chloro-quino

Storage

Lagerung bei 2-8°C

Shipped In

Nasses Eis

Specifications

Synonyme

BCP32571 | A26229 | FT-0632697 | FS-3377 | SY025840 | EN300-33415 | C2997 | A1-00347 | SB67516 | MFCD00239413 | 5-Chloroquinoline, >=98.0% (GC) | AKOS009156634 | 5-Chloroquinoline | 5-Chloro-quinoline | DTXSID20212901 | Quinoline, 5-chloro-;5-Chloro-quino

Spezifikationen & Reinheit

≥98%

Storage

Lagerung bei 2-8°C

Verschickt in

Nasses Eis

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488184328

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184328

Kanonisches Lächeln

C1=CC2=C(C=CC=N2)C(=C1)Cl

IUPAC Name

5-chloroquinoline

InChIKey

HJSRGOVAIOPERP-UHFFFAOYSA-N

INCHI

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

Isomere SMILES

C1=CC2=C(C=CC=N2)C(=C1)Cl

WGK Deutschland

3

Molekulargewicht

163.6

Beilstein

114722

Reaxy-Rn

114722

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=114722&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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Methanol
• Flammpunkt (°C): 145 °C
• Siedepunkt (°C): 263 °C
• Schmelzpunkt (°C): 28-32°C
• Molekulargewicht: 163.600 g/mol
• XLogP3: 3.300
• 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