6-Bromoquinoline - ≥96% , CAS No.5332-25-2

CAS: 5332-25-2 Cat. No.: B101593 Fórmula: C₉H₆BrN Peso molecular: 208.05 Beilstein Registry Number: 20(5)7,319 Número CE: 226-238-7

GRAU & PUREZA ≥96%

Synonyms

NSC3996 | NSC-3996 | EN300-51894 | BCP32570 | UNII-KS7HD5UJ94 | AKOS005199980 | B2015 | EU-0018623 | 6-bromo-quinolin;Quinoline, 6-bromo- | AC-3293 | BB 0237193 | FT-0602231 | SR-01000523992-1 | Z732220500 | SR-01000523992 | NLRP3-IN-2 | 1,1,2,2-Tetraally

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Visão geral

Product Application：

6-Bromoquinoline is used as fine chemical and pharmaceutical intermediate, used as the coupling reagent.

Especificações

Sinónimos

NSC3996 | NSC-3996 | EN300-51894 | BCP32570 | UNII-KS7HD5UJ94 | AKOS005199980 | B2015 | EU-0018623 | 6-bromo-quinolin;Quinoline, 6-bromo- | AC-3293 | BB 0237193 | FT-0602231 | SR-01000523992-1 | Z732220500 | SR-01000523992 | NLRP3-IN-2 | 1,1,2,2-Tetraally

Especificações e pureza

≥96%

Condições de armazenamento de armazenamento

Store at 2-8°C,Protected from light,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥96%

Nomes e identificadores

Pubchem Sid

504755357

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755357

Sorrisos canónicos

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

IUPAC Name

6-bromoquinoline

InChIKey

IFIHYLCUKYCKRH-UHFFFAOYSA-N

INCHI

1S/C9H6BrN/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6H

SMILES isoméricas

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

WGK Alemanha

3

Peso molecular

208.05

Beilstein

20(5)7,319

Reaxy-Rn

112964

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=112964&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 bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Haloquinoline - Benzenoid - Pyridine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• Descrição: 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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in acetone, acetonitrile, dichloromethane, ethyl acetate and THF.
• Sensibilidade: Light sensitive&Air sensitive&heat sensitive
• Ponto de congelamento (°C): 19 °C
• Índice de refração: 1.663
• Ponto de inflamação (°F): >230 °F
• Ponto de inflamação (°C): 110 °C
• Ponto de ebulição (°C): 116 °C/6 mmHg
• Ponto de fusão (°C): 19 °C
• Peso molecular: 208.050 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 206.968 Da
• Monoisotopic Mass: 206.968 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 5332-25-2, the molecular formula is C9H6BrN, and the molecular weight is 208.05 g/mol. InChIKey IFIHYLCUKYCKRH-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.