Description

2-Bromo-1-fluoro-4-iodobenzene (CAS No. 811842-30-5) is a high-purity halogenated aromatic compound with the molecular formula C₆H₃BrFI. This versatile intermediate is widely used in organic synthesis, pharmaceutical research, and material science applications. The compound features three distinct halogen substituents (bromo, fluoro, and iodo) on a benzene ring, offering multiple reactive sites for further functionalization.

Our product is synthesized under strict quality control measures to ensure ≥98% purity (GC analysis) and is supplied as a clear to pale yellow liquid or crystalline solid. Each batch undergoes rigorous analytical characterization including ¹H NMR, ¹³C NMR, and mass spectrometry to verify identity and purity. Suitable for use in Suzuki couplings, Grignard reactions, and other transition metal-catalyzed processes.

Packaged in amber glass bottles under inert atmosphere to ensure stability. Technical data sheet and certificates of analysis are available upon request. Store in a cool, dry place protected from light at 2-8°C.

Properties

• CAS Number: 811842-30-5
• Complexity: 99.1
• IUPAC Name: 2-bromo-1-fluoro-4-iodo-benzene
• InChI: InChI=1S/C6H3BrFI/c7-5-3-4(9)1-2-6(5)8/h1-3H
• InChI Key: LHRMBQARSBULRX-UHFFFAOYSA-N
• Exact Mass: 299.84469
• Molecular Formula: C6H3BrFI
• Molecular Weight: 300.89
• SMILES: C1=CC(=C(C=C1I)Br)F
• Monoisotopic Mass: 299.84469
• Synonyms: 2-bromo-1-fluoro-4-iodobenzene, 811842-30-5, DTXSID40373669, DTXCID30324701, 3-Bromo-4-fluoroiodobenzene, 2-bromo-1-fluoro-4-iodo-benzene, MFCD04116322, Benzene, 2-bromo-1-fluoro-4-iodo-, 3-bromo-4-fluoro-iodobenzene, SCHEMBL613393, 2-bromo-1-fluoro4-iodobenzene, 1-Fluoro-2-bromo-4-iodobenzene, 3-bromo-4-fluoro-1-iodobenzene, LHRMBQARSBULRX-UHFFFAOYSA-N, AKOS015835309, CS-W003193, DS-1058, SY022695, DB-005991, EN300-233387, Z1269152972

Application

2-Bromo-1-fluoro-4-iodobenzene serves as a key building block in pharmaceutical synthesis, particularly for creating fluorinated drug candidates and PET radiotracers. The compound’s multiple halogen sites enable sequential cross-coupling reactions in medicinal chemistry applications. Researchers utilize this intermediate in the development of liquid crystal materials and organic electronic compounds due to its unique halogen substitution pattern. The fluorine and iodine substituents make it particularly valuable for synthesizing structurally diverse compounds via selective functionalization.

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 (75%): 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 (75%)

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