Description
3-Bromo-4-fluoropyridine (CAS No. 116922-60-2) is a high-purity halogenated pyridine derivative with the molecular formula C5H3BrFN, widely utilized as a versatile building block in pharmaceutical, agrochemical, and materials science research. This compound features a bromine atom at the 3-position and a fluorine atom at the 4-position on the pyridine ring, enabling selective functionalization via cross-coupling reactions (e.g., Suzuki, Stille) or nucleophilic substitutions. Supplied as a clear to pale-yellow liquid or low-melting solid, it is rigorously tested for consistency (≥98% purity by GC/HPLC) and packaged under inert gas to ensure stability. Ideal for synthesizing fluorinated heterocycles, kinase inhibitors, or PET radioligand precursors. Store at 2-8°C in a tightly sealed container to prevent moisture absorption and degradation.
Properties
- CAS Number: 116922-60-2
- Complexity: 78.8
- IUPAC Name: 3-bromo-4-fluoro-pyridine
- InChI: InChI=1S/C5H3BrFN/c6-4-3-8-2-1-5(4)7/h1-3H
- InChI Key: PKYADCLPLQPPKK-UHFFFAOYSA-N
- Exact Mass: 174.94329
- Molecular Formula: C5H3BrFN
- Molecular Weight: 175.99
- SMILES: C1=CN=CC(=C1F)Br
- Topological: 12.9
- Monoisotopic Mass: 174.94329
- Synonyms: 3-bromo-4-fluoropyridine, 116922-60-2, DTXSID90376443, DTXCID50327471, 695-366-7, Pyridine, 3-bromo-4-fluoro-, MFCD04114101, SCHEMBL1180079, SCHEMBL2371169, SCHEMBL6302114, SCHEMBL18938586, 3-Bromo-4-fluoropyridine, 97%, PKYADCLPLQPPKK-UHFFFAOYSA-N, BBL102469, STL556272, AKOS005145584, AB17892, CS-W000819, PS-8597, SY024694, DB-006370, EN300-84604
Application
3-Bromo-4-fluoropyridine serves as a key intermediate in medicinal chemistry for the development of fluorinated drug candidates, particularly kinase inhibitors and CNS-targeting molecules. Its reactive bromo- and fluoro-substituents facilitate sequential functionalization via palladium-catalyzed couplings or aromatic substitutions. Researchers also employ it in agrochemical synthesis to create novel pyridine-based pesticides. The compound’s fluorine atom enhances metabolic stability and bioavailability in lead optimization studies.
Safety and Hazards
GHS Hazard Statements
- H302 (95.3%): Harmful if swallowed [Warning Acute toxicity, oral]
- H315 (95.3%): Causes skin irritation [Warning Skin corrosion/irritation]
- H319 (97.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statements
- P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501
Hazard Classes and Categories
- Acute Tox. 4 (95.3%)
- Skin Irrit. 2 (95.3%)
- Eye Irrit. 2 (97.7%)
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