4-Bromo-6-fluoroquinoline - ≥97% , CAS No.661463-17-8

CAS: 661463-17-8 Cat. No.: B479331 Summenformel: C₉H₅BrFN Molekulargewicht: 226.05 EG-Nummer: 804-044-9

GRADE & PURITY ≥97%

Synonyms

4-Bromo-6-fluoroquinoline | 4-Bromo-6-fluoro-quinoline | AKOS002681325 | HIWPTYUKGHNQCU-UHFFFAOYSA-N | BB 0221579 | 4-Bromo-6-fluoro-quinoline; | AS-41967 | FT-0755819 | EN300-817917 | SY225920 | 4-Bromo-6-fluoroquinoline, AldrichCPR | AMY25866 | A850706

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

4-Bromo-6-fluoroquinoline | 4-Bromo-6-fluoro-quinoline | AKOS002681325 | HIWPTYUKGHNQCU-UHFFFAOYSA-N | BB 0221579 | 4-Bromo-6-fluoro-quinoline; | AS-41967 | FT-0755819 | EN300-817917 | SY225920 | 4-Bromo-6-fluoroquinoline, AldrichCPR | AMY25866 | A850706

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

504768666

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504768666

Kanonisches Lächeln

C1=CC2=NC=CC(=C2C=C1F)Br

IUPAC Name

4-bromo-6-fluoroquinoline

InChIKey

HIWPTYUKGHNQCU-UHFFFAOYSA-N

INCHI

1S/C9H5BrFN/c10-8-3-4-12-9-2-1-6(11)5-7(8)9/h1-5H

Isomere SMILES

C1=CC2=NC=CC(=C2C=C1F)Br

Molekulargewicht

226.05

Reaxy-Rn

14393505

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14393505&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: Haloquinolines
• Alternative Parents: Pyridines and derivatives Benzenoids Aryl fluorides Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Haloquinoline - Benzenoid - Pyridine - Aryl halide - Aryl fluoride - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as haloquinolines. These are compounds containing a quinoline moiety, which is substituted at one or more ring positions by n halogen atom.
• 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

• Molekulargewicht: 226.040 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 224.959 Da
• Monoisotopic Mass: 224.959 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 165.000
• 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