Description

1-Iodo-3,5-dimethoxybenzene (CAS No. 25245-27-6) is a high-purity aromatic compound with the molecular formula C₈H₉IO₂. This iodinated benzene derivative features two methoxy groups at the 3- and 5-positions, making it a valuable intermediate in organic synthesis and pharmaceutical research. The compound is characterized by its white to off-white crystalline appearance and is supplied with ≥98% purity (GC). It is stable under recommended storage conditions (2-8°C, inert atmosphere) and is compatible with a wide range of coupling reactions, including Suzuki-Miyaura and Ullmann-type transformations. Ideal for researchers developing novel ligands, catalysts, or bioactive molecules, this product is rigorously tested via ¹H/¹³C NMR, HPLC, and mass spectrometry to ensure batch-to-batch consistency.

Properties

• CAS Number: 25245-27-6
• Complexity: 107
• IUPAC Name: 1-iodo-3,5-dimethoxy-benzene
• InChI: InChI=1S/C8H9IO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,1-2H3
• InChI Key: MMOMUEFLZAHIAZ-UHFFFAOYSA-N
• Exact Mass: 263.96473
• Molecular Formula: C8H9IO2
• Molecular Weight: 264.06
• SMILES: COC1=CC(=CC(=C1)I)OC
• Topological: 18.5
• Monoisotopic Mass: 263.96473
• Synonyms: 1-iodo-3,5-dimethoxybenzene, 25245-27-6, benzene, 1-iodo-3,5-dimethoxy-, DTXSID10348703, DTXCID00299775, 888-565-7, inchi=1/c8h9io2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5h,1-2h, 1,3-Dimethoxy-5-iodobenzene, 3,5-Dimethoxyiodobenzene, 1-Iodo-3,5-dimethoxy-benzene, MFCD08729270, 3,5-Dimethoxyphenyl iodide, SCHEMBL388181, MMOMUEFLZAHIAZ-UHFFFAOYSA-N, CS-D1784, AKOS015890082, AC-9714, FD22205, AS-18234, SY029324, DB-067358, A20686, EN300-211196, 1,3-Dimethoxy-5-iodobenzene;1-Iodo-3,5-dimethoxybenzene;3,5-Dimethoxy-1-iodobenzene

Application

1-Iodo-3,5-dimethoxybenzene serves as a versatile building block in medicinal chemistry for the synthesis of kinase inhibitors and GPCR modulators. Its electron-rich aromatic ring facilitates palladium-catalyzed cross-coupling reactions to construct biaryl scaffolds. The compound is also employed in materials science for preparing π-conjugated systems in OLEDs and organic semiconductors. Researchers utilize it to introduce iodine tags for radiolabeling or X-ray crystallography studies.

Safety and Hazards

GHS Hazard Statements

• H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (66.7%): 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (33.3%)
• Skin Irrit. 2 (66.7%)
• Eye Irrit. 2 (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.