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

CAS: 5332-24-1 Cat. No.: B113800 Summenformel: C₉H₆BrN Molekulargewicht: 208.05 Beilstein Registry Number: 112939 EG-Nummer: 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

Argon charged,Room temperature

Shipped In

Normal

Übersicht

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

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488182690
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182690
• Kanonisches Lächeln: 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
• Isomere SMILES: C1=CC=C2C(=C1)C=C(C=N2)Br
• WGK Deutschland: 3
• Molekulargewicht: 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
    • Klasse Quinolines and derivatives
      • Subclass Haloquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air sensitive ;Light sensitive
• Brechungsindex: 1.663-1.665
• Flammpunkt (°F): 230 °F
• Flammpunkt (°C): >110°C
• Siedepunkt (°C): 276°C
• Schmelzpunkt (°C): 13-15°C
• Molekulargewicht: 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

Referenzen

1. Yaoguo Shen, Mingliang Ding, Gang Chen, Yingjie Luo, Sangen Zhao, Junhua Luo.  (2024)  C9H7NBrX (X = Cl, Br, NO3): Three Excellent Birefringent Crystals with Distinct Optical Anisotropy Regulated by Anions.  Small,  20  (37): (2400549).  [PMID:38726954] [10.1002/smll.202400549]

Häufig gestellte Fragen

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.