Description

3-Bromo-2-fluoropyridine (CAS No. 36178-05-9) is a high-purity halogenated pyridine derivative with the molecular formula C₅H₃BrFN. This heterocyclic compound is a valuable building block in pharmaceutical, agrochemical, and materials science research due to its reactive bromo and fluoro substituents. Its precise molecular weight of 175.99 g/mol and well-defined structure (IUPAC name: 3-bromo-2-fluoropyridine) make it ideal for Suzuki couplings, nucleophilic substitutions, and other cross-coupling reactions. Available in >98% purity by GC analysis, this moisture-sensitive compound is supplied in amber glass vials under inert atmosphere to ensure stability. Technical data includes ¹H/¹³C NMR spectra, HPLC chromatograms, and detailed safety documentation (SDS).

Properties

• CAS Number: 36178-05-9
• Complexity: 78.8
• IUPAC Name: 3-bromo-2-fluoro-pyridine
• InChI: InChI=1S/C5H3BrFN/c6-4-2-1-3-8-5(4)7/h1-3H
• InChI Key: KESUTBOSNOHAMK-UHFFFAOYSA-N
• Exact Mass: 174.94329
• Molecular Formula: C5H3BrFN
• Molecular Weight: 175.99
• SMILES: C1=CC(=C(N=C1)F)Br
• Topological: 12.9
• Monoisotopic Mass: 174.94329
• Synonyms: 3-Bromo-2-fluoropyridine, 36178-05-9, DTXSID30376442, DTXCID90327470, 672-944-7, 2-fluoro-3-bromopyridine, Pyridine, 3-bromo-2-fluoro-, MFCD04112496, 3-Bromo-2-fluoro-pyridine, bromofluoropyridine, SCHEMBL229922, SCHEMBL379702, SCHEMBL7175460, SCHEMBL18938769, KESUTBOSNOHAMK-UHFFFAOYSA-N, CS-D0935, SBB054288, AKOS005064012, SB10362, DS-10583, SY024684, DB-003072, DB-023879, B3721, EN300-101928

Application

3-Bromo-2-fluoropyridine serves as a key intermediate in the synthesis of active pharmaceutical ingredients (APIs), particularly for kinase inhibitors and CNS-targeting drugs. Its orthogonal halogen substituents enable sequential functionalization in medicinal chemistry workflows. The compound is also used in material science for creating fluorinated liquid crystals and as a ligand precursor in catalytic systems. Researchers employ it in PET radiotracer development due to the fluorine-19 isotope’s NMR sensitivity.

Safety and Hazards

GHS Hazard Statements

• H302 (91.3%): Harmful if swallowed [Warning Acute toxicity, oral]
• H310 (87%): Fatal in contact with skin [Danger Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (87%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (13%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (91.3%)
• Acute Tox. 2 (87%)
• Skin Irrit. 2 (100%)
• Eye Dam. 1 (87%)
• Eye Irrit. 2 (13%)
• STOT SE 3 (95.7%)

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