Atomfair 4-Bromo-2-fluoro-1-iodobenzene C6H3BrFI CAS 105931-73-5

Description

4-Bromo-2-fluoro-1-iodobenzene (CAS No. 105931-73-5) 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 a benzene ring substituted with bromine, fluorine, and iodine at the 4, 2, and 1 positions respectively, offering multiple reactive sites for further functionalization. Our product is rigorously tested to ensure exceptional quality with typical purity ≥97% by GC analysis, making it ideal for demanding synthetic applications. Available in convenient packaging options from grams to kilograms, this air-sensitive material is shipped under inert atmosphere to preserve stability. Technical data including ¹H/¹³C NMR spectra, mass spectrometry data, and HPLC chromatograms are available upon request.

Properties

• CAS Number: 105931-73-5
• Complexity: 99.1
• IUPAC Name: 4-bromo-2-fluoro-1-iodo-benzene
• InChI: InChI=1S/C6H3BrFI/c7-4-1-2-6(9)5(8)3-4/h1-3H
• InChI Key: XRMZKCQCINEBEI-UHFFFAOYSA-N
• Exact Mass: 299.84469
• Molecular Formula: C6H3BrFI
• Molecular Weight: 300.89
• SMILES: C1=CC(=C(C=C1Br)F)I
• Monoisotopic Mass: 299.84469
• Synonyms: 4-bromo-2-fluoro-1-iodobenzene, 629-334-0, 105931-73-5, 1-Bromo-3-fluoro-4-iodobenzene, 3-Fluoro-4-iodobromobenzene, 2-fluoro-4-bromoiodobenzene, 4-bromo-2-fluoroiodobenzene, MFCD00010608, 4-bromo-2-fluoro-1-iodo-benzene, Benzene, 4-bromo-2-fluoro-1-iodo-, 1-brom-3-fluor-4-iodbenzol, EC 629-334-0, 3-fluoro-4-iodo-bromobenzene, SCHEMBL225725, 4-bromo-2-fluoro1-iodobenzene, SCHEMBL21834390, DTXSID40369143, 1-Bromo-3-fluoro-4-iodo benzene, 1-bromo-3-fluoro-4-iodo-benzene, 3-Fluoro-4-iodobromobenzene, 95%, CK2359, AKOS005146018, AC-9674, CS-W008638, FB64564, 4-bromanyl-2-fluoranyl-1-iodanyl-benzene, HY-42121, SY015144, DB-027382, B1947, NS00009378, EN300-245090, A801338, InChI=1/C6H3BrFI/c7-4-1-2-6(9)5(8)3-4/h1-3

Application

4-Bromo-2-fluoro-1-iodobenzene serves as a key building block in Suzuki-Miyaura and other palladium-catalyzed cross-coupling reactions for pharmaceutical intermediate synthesis. The compound is particularly valuable in the development of fluorinated drug candidates and liquid crystal materials. Its multiple halogen substituents allow for sequential functionalization, making it a versatile scaffold in medicinal chemistry programs. Researchers also utilize this intermediate in the synthesis of advanced materials with unique electronic properties.

Safety and Hazards

GHS Hazard Statements

• H302 (42.2%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (42.2%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (42.2%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (92.2%): 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 (42.2%)
• Acute Tox. 4 (42.2%)
• Skin Irrit. 2 (97.8%)
• Eye Irrit. 2 (97.8%)
• Acute Tox. 4 (42.2%)
• STOT SE 3 (92.2%)

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