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

CAS: 5332-25-2 Cat. No.: B101593 Molecular Weight: 208.05 Beilstein Registry Number: 20(5)7,319 EC Number: 226-238-7

GRADE & PURITY ≥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

Overview

Product Application：

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

Specifications

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

Specifications & Purity

≥96%

Storage

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

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 504755357
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755357
• Canonical Smiles: 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
• Isomeric SMILES: C1=CC2=C(C=CC(=C2)Br)N=C1
• WGK Germany: 3
• Molecular Weight: 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
    • Class Quinolines and derivatives
      • Subclass Haloquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in acetone, acetonitrile, dichloromethane, ethyl acetate and THF.
• Sensitivity: Light sensitive&Air sensitive&heat sensitive
• Freezing Point(°C): 19 °C
• Refractive Index: 1.663
• Flash Point(°F): >230 °F
• Flash Point(°C): 110 °C
• Boil Point(°C): 116 °C/6 mmHg
• Melt Point(°C): 19 °C
• Molecular Weight: 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