Description

N-(4-iodophenyl)cyclopropanecarboxamide (CAS No. 23779-17-1) is a high-purity organic compound with the molecular formula C₁₀H₁₀INO, widely utilized in pharmaceutical research, chemical synthesis, and material science. This compound features a cyclopropanecarboxamide moiety linked to a 4-iodophenyl group, making it a valuable intermediate for developing novel bioactive molecules and functional materials. With a molecular weight of 287.10 g/mol, it is supplied as a fine white to off-white crystalline powder with ≥95% purity (HPLC). Ideal for cross-coupling reactions, Suzuki-Miyaura couplings, and medicinal chemistry applications, this reagent is rigorously tested for consistency and performance. Each batch undergoes stringent quality control, including NMR, LC-MS, and elemental analysis, ensuring reproducibility for research and industrial applications. Packaged under inert conditions to enhance stability and shelf life.

Properties

• CAS Number: 23779-17-1
• Complexity: 195
• IUPAC Name: N-(4-iodophenyl)cyclopropanecarboxamide
• InChI: InChI=1S/C10H10INO/c11-8-3-5-9(6-4-8)12-10(13)7-1-2-7/h3-7H,1-2H2,(H,12,13)
• InChI Key: OWRJMRAKRDWZHS-UHFFFAOYSA-N
• Exact Mass: 286.98071
• Molecular Formula: C10H10INO
• Molecular Weight: 287.10
• SMILES: C1CC1C(=O)NC2=CC=C(C=C2)I
• Topological: 29.1
• Monoisotopic Mass: 286.98071
• Synonyms: N-(4-iodophenyl)cyclopropanecarboxamide, 23779-17-1, DTXSID40351285, DTXCID20302351, MFCD01327898, cyclopropyl-N-(4-iodophenyl)carboxamide, C10H10INO, Oprea1_484094, SCHEMBL25547338, SBB015716, STK409501, AKOS000272948, FI168865, SY333286, CS-0044980, ST50196375, 7N-005, W18816, AK-968/11368850, SR-01000408208, SR-01000408208-1, Z30316436, F3148-3143

N-(4-iodophenyl)cyclopropanecarboxamide is primarily employed as a key intermediate in the synthesis of pharmaceuticals and agrochemicals due to its reactive iodine substituent. It serves as a versatile building block in palladium-catalyzed cross-coupling reactions, enabling the construction of complex aromatic systems. Researchers also utilize this compound in the development of small-molecule inhibitors and probes for biological target validation. Its stability and well-characterized properties make it suitable for high-throughput screening and combinatorial chemistry workflows.

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 (100%): 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

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