3-Bromoquinoline - ≥98% , CAS No.5332-24-1

CAS: 5332-24-1 Cat. No.: B113800 Formula: C₉H₆BrN Peso molecolare: 208.05 Beilstein Registry Number: 112939 Numero EC: 226-237-1

GRADE & PURITY ≥98%

Synonyms

AKOS005203034 | FT-0615253 | AC-2815 | EINECS 226-237-1 | W-105751 | NSC3995 | NSC-3995 | CCG-339800 | ZRP57JF73Z | 3-(bromo)quinoline | Quinoline, 3-bromo- | InChI=1/C9H6BrN/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6 | Z337707764 | 3-Bromoquinoline, 98% | 3-bromo

Storage

Room temperature,Argon charged

Shipped In

Normal

Panoramica

3-Bromoquinoline undergoes bromine-magnesium exchange reaction with lithium tributylmagnesate in toluene at -10°C, which is quenched by various electrophiles to yield functionalized quinolines

Specifications

Sinonimi

AKOS005203034 | FT-0615253 | AC-2815 | EINECS 226-237-1 | W-105751 | NSC3995 | NSC-3995 | CCG-339800 | ZRP57JF73Z | 3-(bromo)quinoline | Quinoline, 3-bromo- | InChI=1/C9H6BrN/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6 | Z337707764 | 3-Bromoquinoline, 98% | 3-bromo

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488182690

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182690

Sorrisi canonici

C1=CC=C2C(=C1)C=C(C=N2)Br

IUPAC Name

3-bromoquinoline

InChIKey

ZGIKWINFUGEQEO-UHFFFAOYSA-N

INCHI

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

Isomeri SMILES

C1=CC=C2C(=C1)C=C(C=N2)Br

WGK Germania

3

Peso molecolare

208.05

Beilstein

112939

Reaxy-Rn

112939

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=112939&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
• 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Air sensitive ;Light sensitive
• Indice di rifrazione: 1.663-1.665
• Punto di infiammabilità (°F): 230 °F
• Punto di infiammabilità (°C): >110°C
• Punto di ebollizione (°C): 276°C
• Punto di fusione (°C): 13-15°C
• Peso molecolare: 208.050 g/mol
• XLogP3: 3.200
• 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

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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 5332-24-1, the molecular formula is C9H6BrN, and the molecular weight is 208.05 g/mol. InChIKey ZGIKWINFUGEQEO-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.