Description

5-Bromo-2-fluoro-4-methylpyridine (CAS No. 864830-16-0) is a high-purity halogenated pyridine derivative designed for advanced research and industrial applications. This compound, with the molecular formula C₆H₅BrFN, is a versatile building block in organic synthesis, particularly in pharmaceutical and agrochemical development. Its unique structure, featuring bromine and fluorine substituents on a methylated pyridine ring, enables selective functionalization for the creation of complex heterocyclic systems. Supplied as a crystalline solid with guaranteed ≥95% purity (HPLC), this reagent is rigorously tested for consistency and stability. Ideal for cross-coupling reactions, nucleophilic substitutions, and metal-catalyzed transformations, it is packaged under inert gas to ensure long-term shelf life. Each batch is accompanied by comprehensive analytical data including ¹H NMR, ¹³C NMR, and mass spectrometry reports.

Properties

• CAS Number: 864830-16-0
• Complexity: 99.1
• IUPAC Name: 5-bromo-2-fluoro-4-methyl-pyridine
• InChI: InChI=1S/C6H5BrFN/c1-4-2-6(8)9-3-5(4)7/h2-3H,1H3
• InChI Key: PFODFMZCBQUYNG-UHFFFAOYSA-N
• Exact Mass: 188.95894
• Molecular Formula: C6H5BrFN
• Molecular Weight: 190.01
• SMILES: CC1=CC(=NC=C1Br)F
• Topological: 12.9
• Monoisotopic Mass: 188.95894
• Synonyms: 5-Bromo-2-fluoro-4-methylpyridine, 864830-16-0, DTXSID80631078, DTXCID10581830, 679-575-0, 5-bromo-2-fluoro-4-picoline, 5-bromo-2-fluoro-4-methyl-pyridine, MFCD09839213, 2-FLUORO-4-METHYL-5-BROMOPYRIDINE, SCHEMBL2885049, PFODFMZCBQUYNG-UHFFFAOYSA-N, SBB091037, AKOS006346055, AB53532, CS-W003663, PS-8392, AC-24927, SY015333, DB-024271, DB-025222, B3579, EN300-309236

Application

5-Bromo-2-fluoro-4-methylpyridine serves as a key intermediate in the synthesis of active pharmaceutical ingredients (APIs), particularly for kinase inhibitors and CNS-targeting drugs. Its reactive halogen sites enable efficient Suzuki-Miyaura and Buchwald-Hartwig coupling reactions in medicinal chemistry workflows. The compound’s fluorine moiety enhances metabolic stability in drug candidates, while the methyl group facilitates further derivatization. Researchers also utilize this building block in material science for creating functionalized ligands in catalytic systems.

Safety and Hazards

GHS Hazard Statements

• H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (50%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (50%)

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