Description

4-Bromo-2-fluoro-3-methylpyridine (CAS No. 128071-79-4) is a high-purity halogenated pyridine derivative with the molecular formula C₆H₅BrFN. This compound is a valuable heterocyclic building block for pharmaceutical, agrochemical, and materials science research. Its structure features a bromo substituent at the 4-position, a fluoro group at the 2-position, and a methyl group at the 3-position of the pyridine ring, offering versatile reactivity for cross-coupling reactions (e.g., Suzuki, Stille) and nucleophilic substitutions. Available in ≥95% purity (GC), it is supplied in sealed containers under inert gas to ensure stability. Ideal for high-throughput screening, medicinal chemistry, and catalyst development. Store at 2-8°C in a dry environment.

Properties

• CAS Number: 128071-79-4
• Complexity: 99.1
• IUPAC Name: 4-bromo-2-fluoro-3-methyl-pyridine
• InChI: InChI=1S/C6H5BrFN/c1-4-5(7)2-3-9-6(4)8/h2-3H,1H3
• InChI Key: YRLGBXZZABNBNL-UHFFFAOYSA-N
• Exact Mass: 188.95894
• Molecular Formula: C6H5BrFN
• Molecular Weight: 190.01
• SMILES: CC1=C(C=CN=C1F)Br
• Topological: 12.9
• Monoisotopic Mass: 188.95894
• Synonyms: 4-Bromo-2-fluoro-3-methylpyridine, 128071-79-4, DTXSID00628748, DTXCID20579501, 855-090-1, 4-Bromo-2-fluoro-3-picoline, PYRIDINE, 4-BROMO-2-FLUORO-3-METHYL-, 4-Bromo-2-fluoro-3-methyl-pyridine, MFCD09839278, 2-Fluoro-4-Bromo-3-Picoline, SCHEMBL10871312, BBL103027, STL556836, AKOS006328991, AB53559, CS-W006244, DS-14849, SY037826, DB-082275, EN300-384471

Application

4-Bromo-2-fluoro-3-methylpyridine serves as a key intermediate in the synthesis of active pharmaceutical ingredients (APIs), particularly in kinase inhibitor development. Its halogenated pyridine core is utilized in crop protection chemicals to modify bioactivity. Researchers also employ it in PET radioligand synthesis due to the fluorine moiety’s isotopic labeling potential. The methyl group enhances steric tuning in coordination chemistry.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): 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 (100%): 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 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (100%)

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