Description

2-Bromo-1-fluoro-3-iodobenzene (CAS No. 851368-08-6) is a high-purity halogenated aromatic compound with the molecular formula C₆H₃BrFI. This versatile intermediate is widely used in organic synthesis, pharmaceutical research, and materials science due to its unique reactivity profile. The compound features three distinct halogen substituents (bromo, fluoro, and iodo) on a benzene ring, enabling selective functionalization via cross-coupling reactions such as Suzuki, Stille, or Sonogashira couplings.

Our product is synthesized under strict quality control measures and is available in various quantities to meet both research and production needs. Each batch is thoroughly characterized by GC-MS, NMR (1H, 13C), and HPLC to ensure >98% purity. The compound is supplied in amber glass vials under inert atmosphere to maintain stability.

Key applications include: building block for drug discovery, ligand synthesis in catalysis, and precursor for advanced materials. The presence of multiple halogen atoms allows for sequential functionalization, making it particularly valuable for constructing complex molecular architectures.

Properties

• CAS Number: 851368-08-6
• Complexity: 99.1
• IUPAC Name: 2-bromo-1-fluoro-3-iodo-benzene
• InChI: InChI=1S/C6H3BrFI/c7-6-4(8)2-1-3-5(6)9/h1-3H
• InChI Key: MHMRKNHYHPORRR-UHFFFAOYSA-N
• Exact Mass: 299.84469
• Molecular Formula: C6H3BrFI
• Molecular Weight: 300.89
• SMILES: C1=CC(=C(C(=C1)I)Br)F
• Monoisotopic Mass: 299.84469
• Synonyms: 2-bromo-1-fluoro-3-iodobenzene, 851368-08-6, DTXSID60479859, DTXCID80430669, 816-769-8, 2-Bromo-3-fluoroiodobenzene, 2-bromo-1-fluoro-3-iodo-benzene, MFCD09056796, 1-bromo-2-fluoro-6-iodobenzene, Benzene, 2-bromo-1-fluoro-3-iodo-, 2-Bromo-3-fluoroiodobenzene;, Bromo-1-fluoro-3-iodobenzene, SCHEMBL659004, MHMRKNHYHPORRR-UHFFFAOYSA-, MHMRKNHYHPORRR-UHFFFAOYSA-N, AKOS024263416, MB07001, s12162, DA-41197, PS-10247, SY107087, CS-0099400, InChI=1/C6H3BrFI/c7-6-4(8)2-1-3-5(6)9/h1-3H

Application

2-Bromo-1-fluoro-3-iodobenzene serves as a key intermediate in pharmaceutical synthesis, particularly for constructing multi-substituted aromatic scaffolds in drug candidates. The compound is valuable in materials science for developing liquid crystals and organic semiconductors through cross-coupling reactions. Researchers utilize its halogen diversity for selective functionalization in complex molecule synthesis, including natural product derivatives.

Safety and Hazards

GHS Hazard Statements

• H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

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

Hazard Classes and Categories

• Acute Tox. 4 (66.7%)
• Acute Tox. 4 (66.7%)
• Skin Irrit. 2 (66.7%)
• Eye Irrit. 2A (66.7%)
• Acute Tox. 4 (66.7%)
• STOT SE 3 (66.7%)

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