Description

1-Iodo-4-(trifluoromethoxy)benzene (CAS No. 103962-05-6) is a high-purity halogenated aromatic compound with the molecular formula C₇H₄F₃IO. This specialized chemical features a benzene ring substituted with an iodine atom and a trifluoromethoxy group at the para position, making it a valuable intermediate in organic synthesis, pharmaceuticals, and material science applications. Its unique structural properties enable versatile reactivity, particularly in cross-coupling reactions such as Suzuki, Stille, and Sonogashira couplings.

Our product is rigorously tested to ensure >97% purity (GC) and is supplied in sealed, light-resistant packaging to maintain stability. Ideal for researchers and industrial scientists, this compound is available in scalable quantities with batch-specific certificates of analysis (CoA).

Key Features:

• High reactivity in palladium-catalyzed transformations
• Stable under inert conditions
• Compatible with Grignard and lithiation reactions
• Low moisture sensitivity when stored properly

Properties

• CAS Number: 103962-05-6
• Complexity: 140
• IUPAC Name: 1-iodo-4-(trifluoromethoxy)benzene
• InChI: InChI=1S/C7H4F3IO/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4H
• InChI Key: RTUDBROGOZBBIC-UHFFFAOYSA-N
• Exact Mass: 287.92590
• Molecular Formula: C7H4F3IO
• Molecular Weight: 288.01
• SMILES: C1=CC(=CC=C1OC(F)(F)F)I
• Topological: 9.2
• Monoisotopic Mass: 287.92590
• Synonyms: 1-Iodo-4-(trifluoromethoxy)benzene, 103962-05-6, RTUDBROGOZBBIC-UHFFFAOYSA-, DTXSID20380457, DTXCID60331483, 628-163-9, inchi=1/c7h4f3io/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4h, 4-(Trifluoromethoxy)iodobenzene, 1-Iado-4-(trifluoromethoxy)benzene, MFCD00042411, 4-iodotrifluoromethoxybenzene, p-(trifluoromethoxy)iodobenzene, p-iodotrifluoromethoxybenzene, Benzene, 1-iodo-4-(trifluoromethoxy)-, 4-(Trifluoromethoxy)-iodobenzene, 4-trifluoromethoxyiodobenzene, SCHEMBL80634, 4-trifluoromethoxy-iodobenzene, 4-iodo trifluoromethoxy benzene, SCHEMBL16953144, 1-Iodo-4-trifluoromethoxybenzene, 4-iodo-1-trifluoromethoxybenzene, 1-iodo-4-trifluoromethoxy-benzene, 4-iodo-1-(trifluoromethoxy)benzene, AC7894, 4-(Trifluoromethoxy)iodobenzene, 97%, AKOS005259772, AC-6889, CS-W004081, PS-7177, SY016451, DB-023681, ST51041558, T2153, EN300-140942

1-Iodo-4-(trifluoromethoxy)benzene serves as a critical building block in the synthesis of agrochemicals, liquid crystals, and pharmaceutical candidates. It is widely used in palladium-catalyzed cross-coupling reactions to introduce trifluoromethoxy-substituted aryl groups into complex molecules. Researchers leverage its iodine moiety for nucleophilic substitutions in medicinal chemistry. The compound also finds utility in materials science for constructing fluorinated polymers with enhanced thermal stability.

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 (97.9%): 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. 2 (100%)
• STOT SE 3 (97.9%)

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