Description

4-Bromo-1-fluoro-2-iodobenzene (CAS No. 116272-41-4) 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. Its unique combination of bromo, fluoro, and iodo substituents on the benzene ring makes it a valuable building block for cross-coupling reactions, such as Suzuki, Stille, and Sonogashira couplings.

Our product is rigorously tested to ensure exceptional quality, with purity levels typically exceeding 97% (GC analysis). It is supplied as a crystalline solid at room temperature, packaged under inert atmosphere to maintain stability. The compound’s molecular weight is 300.90 g/mol, with a melting point range of 45-50°C.

Special handling precautions are recommended due to the light-sensitive nature of the iodo substituent. Store in amber glass containers at 2-8°C under inert atmosphere for optimal shelf life. Technical data sheets and certificates of analysis are available upon request.

Properties

• CAS Number: 116272-41-4
• Complexity: 99.1
• IUPAC Name: 4-bromo-1-fluoro-2-iodo-benzene
• InChI: InChI=1S/C6H3BrFI/c7-4-1-2-5(8)6(9)3-4/h1-3H
• InChI Key: JNETZJWWXCLUKM-UHFFFAOYSA-N
• Exact Mass: 299.84469
• Molecular Formula: C6H3BrFI
• Molecular Weight: 300.89
• SMILES: C1=CC(=C(C=C1Br)I)F
• Monoisotopic Mass: 299.84469
• Synonyms: 4-bromo-1-fluoro-2-iodobenzene, 116272-41-4, DTXSID90382266, DTXCID70333291, 687-956-8, 3-iodo-4-fluorobromobenzene, 5-bromo-2-fluoroiodobenzene, Benzene, 4-bromo-1-fluoro-2-iodo-, 1-bromo-4-fluoro-3-iodobenzene, 4-bromo-1-fluoro-2-iodo-benzene, MFCD07368751, 4-fluoro-3-iodobromobenzene, 2-fluoro-5-bromoiodobenzene, 5-bromo-2-fluoro-iodobenzene, SCHEMBL933399, JNETZJWWXCLUKM-UHFFFAOYSA-N, AKOS005063923, AC-9672, GS-3539, SY024316, CS-0030548, EN300-154550

Application

4-Bromo-1-fluoro-2-iodobenzene serves as a key intermediate in the synthesis of pharmaceutical compounds, particularly in the development of fluorinated drug candidates. The compound’s multiple halogen sites enable sequential functionalization through selective cross-coupling reactions. Researchers utilize this building block in material science for creating specialized liquid crystals and organic electronic materials. Its unique substitution pattern also makes it valuable for studying structure-activity relationships in medicinal chemistry programs.

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 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (100%): 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 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (66.7%)
• STOT SE 3 (100%)

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