Description

4-Bromo-2-(trifluoromethoxy)iodobenzene (CAS No. 175278-12-3) is a high-purity halogenated aromatic compound with the molecular formula C₇H₃BrF₃IO. This specialized chemical features a benzene ring substituted with bromo, iodo, and trifluoromethoxy functional groups, making it a valuable intermediate in synthetic organic chemistry and pharmaceutical research. Its unique structure enables precise reactivity in cross-coupling reactions, such as Suzuki-Miyaura and Buchwald-Hartwig couplings. Supplied as a crystalline solid with ≥98% purity (HPLC), it is rigorously tested for consistency and stability. Ideal for researchers developing fluorinated compounds, agrochemicals, or bioactive molecules. Store under inert conditions at 2-8°C to maintain integrity.

Properties

• CAS Number: 175278-12-3
• Complexity: 176
• IUPAC Name: 4-bromo-1-iodo-2-(trifluoromethoxy)benzene
• InChI: InChI=1S/C7H3BrF3IO/c8-4-1-2-5(12)6(3-4)13-7(9,10)11/h1-3H
• InChI Key: IGWVTCXEZVURNB-UHFFFAOYSA-N
• Exact Mass: 365.83641
• Molecular Formula: C7H3BrF3IO
• Molecular Weight: 366.90
• SMILES: C1=CC(=C(C=C1Br)OC(F)(F)F)I
• Topological: 9.2
• Monoisotopic Mass: 365.83641
• Synonyms: 4-Bromo-2-(trifluoromethoxy)iodobenzene, 175278-12-3, DTXSID30371351, DTXCID50322385, 670-910-6, 4-bromo-1-iodo-2-(trifluoromethoxy)benzene, Benzene, 4-bromo-1-iodo-2-(trifluoromethoxy)-, MFCD00179334, 5-Bromo-2-iodo-1-(trifluoromethoxy)benzene, 5-bromo-2-iodophenyl trifluoromethyl ether, SCHEMBL208366, AKOS015835585, CS-W002479, DS-1026, PS-6988, 4-bromo-2-(trifluoro-methoxy)iodobenzene, SY024317, 4-bromo-1-iodo-2-trifluoromethoxy-benzene, 4-bromo-1-iodo-2-(trifluormethoxy)benzene, ST51041433, EN300-211178

Application

4-Bromo-2-(trifluoromethoxy)iodobenzene serves as a versatile building block in medicinal chemistry for introducing trifluoromethoxy and halogen motifs into drug candidates. It is particularly useful in palladium-catalyzed cross-coupling reactions to construct complex biaryl structures. Researchers also employ it in material science to synthesize fluorinated liquid crystals or OLED components. Its reactivity enables late-stage functionalization in agrochemical development.

Safety and Hazards

GHS Hazard Statements

• H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (50%): 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 (50%): 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 (50%)
• Acute Tox. 4 (50%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (50%)
• 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.