2-Bromoquinoline - ≥98% , CAS No.2005-43-8

CAS: 2005-43-8 Cat. No.: B123564 分子式: C₉H₆BrN 分子量: 208.05 Beilstein Registry Number: 20(5)7,318 EC番号: 679-582-9

グレード＆純度 ≥98%

Synonyms

2-Bromoquinoline, 97% | SCHEMBL9430 | AC-907/25004859 | A4387 | PS-8052 | STL556080 | Quinoline, 2-bromo- | bromoquinoline | W-206482 | B3524 | AM20061832 | AC-6956 | 2-Bromoquinoline, 95% | J-650205 | DTXSID90376423 | EN300-83375 | 2-bromoquinoline | MFC

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

仕様

同義語

2-Bromoquinoline, 97% | SCHEMBL9430 | AC-907/25004859 | A4387 | PS-8052 | STL556080 | Quinoline, 2-bromo- | bromoquinoline | W-206482 | B3524 | AM20061832 | AC-6956 | 2-Bromoquinoline, 95% | J-650205 | DTXSID90376423 | EN300-83375 | 2-bromoquinoline | MFC

仕様と純度

≥98%

保管条件

Protected from light,Room temperature,Argon charged

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

504761686

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504761686

カノニカル・スマイル

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

IUPAC Name

2-bromoquinoline

InChIKey

QKJAZPHKNWSXDF-UHFFFAOYSA-N

INCHI

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

異性体SMILES

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

WGKドイツ

3

分子量

208.05

Beilstein

20(5)7,318

Reaxy-Rn

112562

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=112562&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Quinolines and derivatives
      • Subclass Haloquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Quinolines and derivatives
• Subclass: Haloquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Haloquinolines
• Alternative Parents: 2-halopyridines Benzenoids Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Haloquinoline - 2-halopyridine - Benzenoid - Pyridine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• 説明: 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

化学的性質と物理的性質

• 溶解度: Soluble in Methanol
• 感度: Light sensitive
• 引火点（°F）: >230 °F
• 引火点（°C）: >110 °C
• 沸点（°C）: 115°C/0.3mmHg
• 融点（°C）: 49 °C
• 分子量: 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

よくある質問

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, 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 under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 2005-43-8, the molecular formula is C9H6BrN, and the molecular weight is 208.05 g/mol. InChIKey QKJAZPHKNWSXDF-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.