8-Chlorchinolin - ≥98%(GC) , CAS No.611-33-6

CAS: 611-33-6 Cat. No.: C153510 Summenformel: C₉H₆ClN Molekulargewicht: 163.6 EG-Nummer: 210-265-6

GRADE & PURITY ≥98%(GC)

Synonyms

DTXSID9060601 | AKOS005257130 | 8-choloroquinoline | J-519428 | AM20070106 | MFCD00047618 | AMS_CNC_ID-295179962 | A26299 | UNII-U4UPA3J2CR | 2-AMINO-1-(2,4-DIMETHOXY-PHENYL)-ETHANONEOXIME | SB67502 | 8-Chloroquinoline, AldrichCPR | BB 0253868 | U4UPA3J2C

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

DTXSID9060601 | AKOS005257130 | 8-choloroquinoline | J-519428 | AM20070106 | MFCD00047618 | AMS_CNC_ID-295179962 | A26299 | UNII-U4UPA3J2CR | 2-AMINO-1-(2,4-DIMETHOXY-PHENYL)-ETHANONEOXIME | SB67502 | 8-Chloroquinoline, AldrichCPR | BB 0253868 | U4UPA3J2C

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

Pubchem Sid

488184234

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184234

Kanonisches Lächeln

C1=CC2=C(C(=C1)Cl)N=CC=C2

IUPAC Name

8-chloroquinoline

InChIKey

RUSMDMDNFUYZTM-UHFFFAOYSA-N

INCHI

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

Isomere SMILES

C1=CC2=C(C(=C1)Cl)N=CC=C2

Molekulargewicht

163.6

Reaxy-Rn

2995

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2995&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: quinolines - organochlorine compound

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

• Brechungsindex: 1.65
• Siedepunkt (°C): 288°C(lit.)
• Molekulargewicht: 163.600 g/mol
• XLogP3: 2.400
• 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