Description

1-Iodo-2-nitro-4-(trifluoromethoxy)benzene (CAS No. 886762-35-2) is a high-purity halogenated aromatic compound with the molecular formula C₇H₃F₃INO₃. This specialized chemical features a nitro group and a trifluoromethoxy substituent on a benzene ring, further functionalized with an iodine atom, making it a valuable intermediate in synthetic organic chemistry. Its unique structure is ideal for cross-coupling reactions, nucleophilic substitutions, and as a precursor in pharmaceutical and agrochemical research. The compound is supplied as a crystalline solid with >95% purity (HPLC), ensuring consistency for advanced applications. Proper storage under inert conditions is recommended to maintain stability.

Properties

• CAS Number: 886762-35-2
• Complexity: 243
• IUPAC Name: 1-iodo-2-nitro-4-(trifluoromethoxy)benzene
• InChI: InChI=1S/C7H3F3INO3/c8-7(9,10)15-4-1-2-5(11)6(3-4)12(13)14/h1-3H
• InChI Key: LSFHKVCNLXPINN-UHFFFAOYSA-N
• Exact Mass: 332.91098
• Molecular Formula: C7H3F3INO3
• Molecular Weight: 333.00
• SMILES: C1=CC(=C(C=C1OC(F)(F)F)[N+](=O)[O-])I
• Topological: 55.1
• Monoisotopic Mass: 332.91098
• Synonyms: 1-iodo-2-nitro-4-(trifluoromethoxy)benzene, 886762-35-2, 2-Nitro-4-(trifluoromethoxy)iodobenzene, 2-Iodo-5-(trifluoromethoxy)nitrobenzene, SCHEMBL3495810, DTXSID30382200, MFCD04039213, AKOS015853820, AS-39090, 1-iodo-2-nitro-4-trifluoromethoxy-benzene, 1-iodo-2-nitro-4-(trifloromethoxy)benzene, DB-078107, CS-0083357

Application

1-Iodo-2-nitro-4-(trifluoromethoxy)benzene serves as a key building block in Suzuki-Miyaura and Ullmann-type coupling reactions for synthesizing complex fluorinated aromatics. Its electron-deficient ring system is exploited in medicinal chemistry for designing kinase inhibitors and PET radiotracer precursors. The trifluoromethoxy group enhances lipophilicity, making it valuable in agrochemical development. Researchers also utilize it to introduce iodine labels for X-ray crystallography studies.

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