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

CAS: 611-33-6 Cat. No.: C153510 Formule: C₉H₆ClN Poids moléculaire: 163.6 Numéro CE: 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

Synonymes

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

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

488184234

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

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

Poids moléculaire

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
    • 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: 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
• Description: 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

Propriétés chimiques et physiques

• Indice de réfraction: 1.65
• Point d'ébullition (°C): 288°C(lit.)
• Poids moléculaire: 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