Description

2-Bromo-5-fluoropyrazine (CAS No. 1209459-10-8) is a high-purity halogenated pyrazine derivative with the molecular formula C₄H₂BrFN₂. This heterocyclic compound is a valuable building block in pharmaceutical and agrochemical synthesis, particularly for the introduction of fluorinated pyrazine motifs. The product is supplied as a crystalline solid with ≥95% purity (HPLC), rigorously tested for consistency via GC-MS, ¹H NMR, and ¹³C NMR. Optimized for cross-coupling reactions (e.g., Suzuki-Miyaura, Buchwald-Hartwig), its bromo-fluoro substitution pattern enables selective functionalization at multiple positions. Packaged under inert gas in amber glass vials with PTFE-lined caps to ensure stability. Available in research (1g, 5g) and bulk (25g, 100g) quantities with optional COA and MSDS documentation.

Properties

• CAS Number: 1209459-10-8
• Complexity: 80.4
• IUPAC Name: 2-bromo-5-fluoro-pyrazine
• InChI: InChI=1S/C4H2BrFN2/c5-3-1-8-4(6)2-7-3/h1-2H
• InChI Key: XPWYTZGWNXDFRE-UHFFFAOYSA-N
• Exact Mass: 175.93854
• Molecular Formula: C4H2BrFN2
• Molecular Weight: 176.97
• SMILES: C1=C(N=CC(=N1)Br)F
• Topological: 25.8
• Monoisotopic Mass: 175.93854
• Synonyms: 2-bromo-5-fluoropyrazine, 1209459-10-8, DTXSID00735042, DTXCID10685786, 810-677-1, MFCD14702726, SCHEMBL14826040, SCHEMBL18938730, SCHEMBL18938790, XPWYTZGWNXDFRE-UHFFFAOYSA-N, AKOS015946533, DS-9519, MB14114, DA-26790, SY114907, CS-0043702, EN300-299562, Y10496

Application

2-Bromo-5-fluoropyrazine serves as a key intermediate in medicinal chemistry for developing kinase inhibitors and CNS-active compounds. The fluorine atom enhances metabolic stability and bioavailability in drug candidates, while the bromine enables palladium-catalyzed cross-couplings. Researchers utilize this reagent to construct fluorinated analogs of pyrazine-based herbicides and fungicides. Its electron-deficient pyrazine core is particularly valuable in materials science for designing electron-transport layers in OLEDs.

Safety and Hazards

GHS Hazard Statements

• H227 (50%): Combustible liquid [Warning Flammable liquids]
• H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• 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+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 4 (50%)
• Acute Tox. 4 (50%)
• Skin Irrit. 2 (100%)
• Eye Dam. 1 (50%)
• Eye Irrit. 2 (50%)
• Acute Tox. 4 (50%)
• STOT SE 3 (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.