Description

5-Bromo-1,3-difluoro-2-iodobenzene (CAS No. 160976-02-3) is a high-purity halogenated benzene derivative with the molecular formula C₆H₂BrF₂I. This compound is a versatile building block in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and advanced materials. Its unique structure, featuring bromine, fluorine, and iodine substituents on an aromatic ring, enables selective functionalization via cross-coupling reactions (e.g., Suzuki, Stille) or nucleophilic aromatic substitution.

Our product is rigorously tested for purity (typically ≥97% by GC/HPLC) and is supplied in sealed, light-resistant packaging to ensure stability. Ideal for researchers developing fluorinated bioactive compounds or electronic materials, it is available in quantities from grams to kilograms with customizable packaging options. Handle with standard aryl halide precautions under inert atmosphere if sensitive to degradation.

Properties

• CAS Number: 160976-02-3
• Complexity: 110
• IUPAC Name: 5-bromo-1,3-difluoro-2-iodo-benzene
• InChI: InChI=1S/C6H2BrF2I/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
• InChI Key: NLWAKVGODLJALJ-UHFFFAOYSA-N
• Exact Mass: 317.83527
• Molecular Formula: C6H2BrF2I
• Molecular Weight: 318.88
• SMILES: C1=C(C=C(C(=C1F)I)F)Br
• Monoisotopic Mass: 317.83527
• Synonyms: 5-Bromo-1,3-difluoro-2-iodobenzene, 678-230-1, 160976-02-3, 4-bromo-2,6-difluoroiodobenzene, 2,6-difluoro-4-bromoiodobenzene, Benzene, 5-bromo-1,3-difluoro-2-iodo-, 1-Bromo-3,5-difluoro-4-iodobenzene, MFCD01861126, 4-bromo-2,6 difluoro-1-iodobenzene, 5-bromo-1,3-difluoro-2-iodo-benzene, SCHEMBL6687144, DTXSID70382224, BBL100574, STL554368, 4-bromo-2,6-difluoro-1-iodobenzene, AKOS005254968, CS-W012011, DS-1698, SY017079, B3058, EN300-646253

Application

5-Bromo-1,3-difluoro-2-iodobenzene serves as a key intermediate in the synthesis of fluorinated active pharmaceutical ingredients (APIs), particularly those targeting CNS disorders. Its polyhalogenated structure facilitates sequential functionalization in Pd-catalyzed cross-coupling reactions for drug discovery. The compound is also employed in materials science to create liquid crystals or OLED precursors, where fluorine substitution enhances thermal and electronic properties. Researchers utilize it to study halogen-halogen interactions in crystal engineering.

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 (66.7%): 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. 2A (100%)
• 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.