Description

1-Bromo-2-fluoro-4-iodobenzene (CAS No. 136434-77-0) is a high-purity halogenated aromatic compound with the molecular formula C₆H₃BrFI. This versatile intermediate is widely utilized in organic synthesis, pharmaceutical research, and material science due to its unique reactivity profile. The compound features bromine, fluorine, and iodine substituents on a benzene ring, enabling selective cross-coupling reactions such as Suzuki, Stille, and Negishi couplings. With a purity of ≥97%, it is ideal for precision applications in medicinal chemistry and agrochemical development. Packaged under inert gas to ensure stability, this product is available in quantities ranging from milligrams to kilograms to meet both laboratory and industrial-scale demands.

Properties

• CAS Number: 136434-77-0
• Complexity: 99.1
• IUPAC Name: 1-bromo-2-fluoro-4-iodo-benzene
• InChI: InChI=1S/C6H3BrFI/c7-5-2-1-4(9)3-6(5)8/h1-3H
• InChI Key: OCODJNASCDFXSR-UHFFFAOYSA-N
• Exact Mass: 299.84469
• Molecular Formula: C6H3BrFI
• Molecular Weight: 300.89
• SMILES: C1=CC(=C(C=C1I)F)Br
• Monoisotopic Mass: 299.84469
• Synonyms: 1-Bromo-2-fluoro-4-iodobenzene, 136434-77-0, DTXSID60369327, DTXCID70320363, 626-381-9, ocodjnascdfxsr-uhfffaoysa-n, 4-Bromo-3-fluoroiodobenzene, 3-fluoro-4-bromoiodobenzene, MFCD00042577, 3-fluoro-4-bromo-iodobenzene, 3-fluoro-4-bromo iodobenzene, 1-bromo-2-fluoro-4-iodo-benzene, Benzene, 1-bromo-2-fluoro-4-iodo-, 2-fluoro-4-iodobromobenzene, SCHEMBL205219, 4-Bromo-3-fluoroiodobenzene, 97%, AKOS005063893, CS-W008092, FB34240, SB33037, AC-26069, AS-15026, SY007783, DB-027379, B3017, EN300-102002

1-Bromo-2-fluoro-4-iodobenzene serves as a critical building block in the synthesis of complex organic molecules, particularly in pharmaceutical and agrochemical industries. Its multi-halogenated structure facilitates regioselective functionalization via metal-catalyzed cross-coupling reactions. Researchers employ this compound in the development of fluorinated drug candidates and advanced materials. It is also used in ligand design for catalysis and as a precursor in PET (positron emission tomography) tracer synthesis.

Safety and Hazards

GHS Hazard Statements

• H302 (85.4%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (18.8%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (18.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statements

• P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501

Hazard Classes and Categories

• Acute Tox. 4 (85.4%)
• Skin Irrit. 2 (18.8%)
• Eye Irrit. 2A (18.8%)

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