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

CAS: 5332-25-2 Cat. No.: B101593 分子式: C₉H₆BrN 分子量: 208.05 Beilstein Registry Number: 20(5)7,319 EC番号: 226-238-7

グレード＆純度 ≥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

概要

Product Application：

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

仕様

同義語

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

仕様と純度

≥96%

保管条件

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

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥96%

名前と識別子

パブケム・シド

504755357

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

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

WGKドイツ

3

分子量

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
    • 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: 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
• 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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in acetone, acetonitrile, dichloromethane, ethyl acetate and THF.
• 感度: Light sensitive&Air sensitive&heat sensitive
• 融点（°C）: 19 °C
• 屈折率: 1.663
• 引火点（°F）: >230 °F
• 引火点（°C）: 110 °C
• 沸点（°C）: 116 °C/6 mmHg
• 融点（°C）: 19 °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 ≥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.