Description
2-Bromo-4,6-difluoropyridine (CAS No. 41404-63-1) is a high-purity halogenated pyridine derivative with the molecular formula C5H2BrF2N. This compound is a valuable building block in pharmaceutical and agrochemical synthesis, offering exceptional reactivity due to the strategic placement of bromo and fluoro substituents on the pyridine ring. Its crystalline solid form (typically white to off-white) is rigorously tested via GC/HPLC to ensure ≥98% purity, making it ideal for cross-coupling reactions (e.g., Suzuki, Stille) and nucleophilic substitutions. Packaged under inert gas in amber glass vials to prevent degradation, it is suited for advanced research in medicinal chemistry and material science. Key identifiers include MFCD09029860 and EC 865-824-2.
Properties
- CAS Number: 41404-63-1
- Complexity: 101
- IUPAC Name: 2-bromo-4,6-difluoro-pyridine
- InChI: InChI=1S/C5H2BrF2N/c6-4-1-3(7)2-5(8)9-4/h1-2H
- InChI Key: UYVKWWFAWWTABT-UHFFFAOYSA-N
- Exact Mass: 192.93387
- Molecular Formula: C5H2BrF2N
- Molecular Weight: 193.98
- SMILES: C1=C(C=C(N=C1F)Br)F
- Topological: 12.9
- Monoisotopic Mass: 192.93387
- Synonyms: 2-Bromo-4,6-difluoropyridine, 865-824-2, 41404-63-1, 2-Bromo-4,6-difluoro-pyridine, MFCD09029860, SCHEMBL25343012, DTXSID30479265, AKOS006291328, CS-W007201, AC-17811, BS-27971, EN300-177399
Application
2-Bromo-4,6-difluoropyridine serves as a versatile intermediate in the synthesis of active pharmaceutical ingredients (APIs), particularly for fluorinated heterocycles. It is employed in palladium-catalyzed cross-coupling reactions to construct complex scaffolds for kinase inhibitors and agrochemicals. The electron-deficient pyridine core also facilitates the development of liquid crystals and OLED materials.
Safety and Hazards
GHS Hazard Statements
- H227 (100%): Combustible liquid [Warning Flammable liquids]
- H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
- H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
- H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
- H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statements
- P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501
Hazard Classes and Categories
- Flam. Liq. 4 (100%)
- Acute Tox. 4 (100%)
- Skin Irrit. 2 (100%)
- Eye Dam. 1 (100%)
- STOT SE 3 (100%)
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