Description

1-Chloro-2-(4-ethoxybenzyl)-4-iodobenzene (CAS No. 1103738-29-9) is a high-purity halogenated aromatic compound with the molecular formula C₁₅H₁₄ClIO. This specialized chemical features a chloro- and iodo-substituted benzene ring coupled with a 4-ethoxybenzyl group, offering unique reactivity for advanced synthetic applications. With a molecular weight of 372.63 g/mol, this compound is supplied as a crystalline solid with ≥95% purity (HPLC) and is rigorously tested for consistency. Ideal for pharmaceutical intermediates, materials science, and cross-coupling reactions, our product is packaged under inert conditions to ensure stability. Each batch includes comprehensive analytical data (NMR, LC-MS, FTIR) for verification.

Properties

• CAS Number: 1103738-29-9
• Complexity: 241
• IUPAC Name: 1-chloro-2-[(4-ethoxyphenyl)methyl]-4-iodo-benzene
• InChI: InChI=1S/C15H14ClIO/c1-2-18-14-6-3-11(4-7-14)9-12-10-13(17)5-8-15(12)16/h3-8,10H,2,9H2,1H3
• InChI Key: CZFRIPGHKLGMEU-UHFFFAOYSA-N
• Exact Mass: 371.97779
• Molecular Formula: C15H14ClIO
• Molecular Weight: 372.63
• SMILES: CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)I)Cl
• Topological: 9.2
• Monoisotopic Mass: 371.97779
• Synonyms: 1-Chloro-2-(4-ethoxybenzyl)-4-iodobenzene, 822-455-1, 1103738-29-9, 4-IODO-1-CHLORO-2-(4-ETHOXYBENZYL)BENZENE, 1-chloro-2-[(4-ethoxyphenyl)methyl]-4-iodoBenzene, MFCD18642361, SCHEMBL1933786, Benzene, 1-chloro-2-[(4-ethoxyphenyl)methyl]-4-iodo-, DTXSID30649082, CZFRIPGHKLGMEU-UHFFFAOYSA-N, BCP09892, CS-M2123, AKOS016011332, DS-6280, AC-26922, SY113135, DB-059991

Application

1-Chloro-2-(4-ethoxybenzyl)-4-iodobenzene serves as a versatile building block in Suzuki-Miyaura and other palladium-catalyzed cross-coupling reactions. The compound’s iodine and chlorine substituents enable selective functionalization for drug discovery programs targeting kinase inhibitors or liquid crystal materials. Researchers utilize its ethoxybenzyl group as a directing moiety in C-H activation studies. The electron-rich aromatic system also makes it valuable for OLED material development.

Safety and Hazards

GHS Hazard Statements

• H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (50%): 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

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (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.