Description

1-Bromo-4-fluoro-2-iodobenzene (CAS No. 202865-72-3) is a high-purity halogenated benzene derivative with the molecular formula C₆H₃BrFI. This compound is a versatile building block in organic synthesis, particularly in cross-coupling reactions such as Suzuki, Stille, and Negishi couplings. Its unique combination of bromo, fluoro, and iodo substituents enables selective functionalization, making it invaluable for pharmaceutical, agrochemical, and materials science research. Available in >98% purity (GC), it is supplied in rigorously tested batches with detailed analytical certificates (COA). Store under inert conditions at 2-8°C to ensure stability. Suitable for use in advanced medicinal chemistry, ligand design, and as a precursor for complex heterocycles.

Properties

• CAS Number: 202865-72-3
• Complexity: 99.1
• IUPAC Name: 1-bromo-4-fluoro-2-iodo-benzene
• InChI: InChI=1S/C6H3BrFI/c7-5-2-1-4(8)3-6(5)9/h1-3H
• InChI Key: QDCBSSUCEUMLGC-UHFFFAOYSA-N
• Exact Mass: 299.84469
• Molecular Formula: C6H3BrFI
• Molecular Weight: 300.89
• SMILES: C1=CC(=C(C=C1F)I)Br
• Monoisotopic Mass: 299.84469
• Synonyms: 1-bromo-4-fluoro-2-iodobenzene, 202865-72-3, DTXSID70942423, DTXCID201370826, 623-193-9, 2-bromo-5-fluoroiodobenzene, 4-fluoro-2-iodobromobenzene, Benzene, 1-bromo-4-fluoro-2-iodo-, 1-bromo-4-fluoro-2-iodo-benzene, MFCD00042578, 2-iodo-4-fluorobromobenzene, SCHEMBL184417, AKOS015889467, CS-W014541, 1-Bromo-4-fluoro-2-iodobenzene, 97%, s10431, AS-19847, SY020717, DB-045153, B4506, EN300-316930, 6689-30-1

Application

1-Bromo-4-fluoro-2-iodobenzene is widely used as a key intermediate in the synthesis of active pharmaceutical ingredients (APIs) and specialty chemicals. Its halogen-rich structure facilitates sequential cross-coupling reactions to construct polyfunctionalized aromatic systems. Researchers employ it in the development of fluorinated liquid crystals, OLED materials, and PET radiotracers. The compound’s orthogonal reactivity (Br/I selectivity) is exploited in palladium-catalyzed cascade reactions.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (89.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

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

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (89.4%)

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