4-Bromo-8-fluoroquinoline


Chemical Name: 4-Bromo-8-fluoroquinoline
CAS Number: 927800-38-2
Product Number: AG00GS6Q(AGN-PC-0WAMLP)
Synonyms:
MDL No:
Molecular Formula: C9H5BrFN
Molecular Weight: 226.0451

Identification/Properties


Computed Properties
Molecular Weight:
226.048g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
224.959g/mol
Monoisotopic Mass:
224.959g/mol
Topological Polar Surface Area:
12.9A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
165
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



4-Bromo-8-fluoroquinoline is a versatile building block in chemical synthesis due to its unique reactivity and structural properties. This molecule is commonly used as a key intermediate in the preparation of various pharmaceuticals, agrochemicals, and specialty chemicals.In organic synthesis, 4-Bromo-8-fluoroquinoline can serve as a valuable precursor for the introduction of functional groups through substitution reactions. Its halogen substituents provide handles for further derivatization, allowing chemists to modify the molecule's structure in a controlled manner. This can be particularly useful in designing and synthesizing new drug candidates or complex organic compounds.Additionally, 4-Bromo-8-fluoroquinoline can participate in transition metal-catalyzed cross-coupling reactions to form carbon-carbon or carbon-heteroatom bonds. These transformations enable the construction of more intricate molecular frameworks and the incorporation of diverse chemical motifs into the final product.Furthermore, the presence of the fluorine atom in 4-Bromo-8-fluoroquinoline can confer valuable properties to the synthesized molecules, such as enhanced bioavailability, metabolic stability, or interactions with biological targets. This can be crucial in drug discovery and development, where optimizing the pharmacological profile of a compound is essential for its therapeutic effectiveness.Overall, the versatile nature of 4-Bromo-8-fluoroquinoline makes it a valuable tool for chemists engaged in the synthesis of complex organic molecules with applications in various fields, including pharmaceuticals, agrochemicals, and materials science.