6-Bromo-8-fluoroquinoline - ≥98% , CAS No.220513-46-2

CAS: 220513-46-2 Cat. No.: B182883 Formula: C₉H₅BrFN Peso molecolare: 226.05 Numero EC: 803-353-6

GRADE & PURITY ≥98%

Synonyms

AMY5095 | AU-004/43501986 | SY042277 | STL556111 | F31199 | MFCD11053791 | SB71687 | DDCOYWOYIUEOHQ-UHFFFAOYSA-N | EN300-201404 | 6-Bromo-8-fluoroquinoline, 97% | BBL102312 | A878765 | SCHEMBL1148955 | DTXSID50674533 | 6-BROMO-8-FLUOROQUINOLINE | 6-Bromo-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

AMY5095 | AU-004/43501986 | SY042277 | STL556111 | F31199 | MFCD11053791 | SB71687 | DDCOYWOYIUEOHQ-UHFFFAOYSA-N | EN300-201404 | 6-Bromo-8-fluoroquinoline, 97% | BBL102312 | A878765 | SCHEMBL1148955 | DTXSID50674533 | 6-BROMO-8-FLUOROQUINOLINE | 6-Bromo-

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504770749

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504770749

Sorrisi canonici

C1=CC2=CC(=CC(=C2N=C1)F)Br

IUPAC Name

6-bromo-8-fluoroquinoline

InChIKey

DDCOYWOYIUEOHQ-UHFFFAOYSA-N

INCHI

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

Isomeri SMILES

C1=CC2=CC(=CC(=C2N=C1)F)Br

Peso molecolare

226.05

Reaxy-Rn

19143441

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19143441&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: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Punto di fusione (°C): 104-106 °C
• Peso molecolare: 226.040 g/mol
• XLogP3: 2.900
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 220513-46-2, the molecular formula is C9H5BrFN, and the molecular weight is 226.05 g/mol. InChIKey DDCOYWOYIUEOHQ-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.