1133123-02-0

Basic information

• Product Name: 2-Iodo-4-bromobenzoic acid
• Synonyms: 2-Iodo-4-bromobenzoic acid
• CAS NO: 1133123-02-0
• Molecular Formula: C₇H₄BrIO₂
• Molecular Weight: 326.9139
• Product Categories: Benzoic acid series
• Mol File: 1133123-02-0.mol
• Article Data: 4

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 2-Iodo-4-bromobenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Iodo-4-bromobenzoic acid(1133123-02-0)
• EPA Substance Registry System: 2-Iodo-4-bromobenzoic acid(1133123-02-0)

Safety Data

• Hazardous Substances Data: 1133123-02-0(Hazardous Substances Data)

Usage

General Description

2-Iodo-4-bromobenzoic acid, also known as 2-iodo-4-bromobenzoate, is a chemical compound belonging to the class of benzoic acids. It is a white to light yellow crystalline powder with a molecular formula of C7H4BrIO2. 2-Iodo-4-bromobenzoic acid is commonly utilized as an intermediate in the synthesis of pharmaceuticals and other organic compounds. It is also used in the preparation of various biologically active compounds and serves as a key building block in organic synthesis. Additionally, 2-Iodo-4-bromobenzoic acid has potential applications in the field of material sciences for the development of new materials with specific properties.

InChI:InChI=1S/C7H4BrIO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)

Upstream product

• 20776-50-5 2-amino-4-bromobenzoic acid 
• 586-76-5 4-Bromobenzoic acid 

Downstream Products

• 19218-86-1 4-bromo-2-(phenylamino)benzoic acid 
• 1099629-83-0 C₁₄H₁₂BrNO 
• 1099693-23-8 C₁₄H₁₄BrNO 
• 1428865-13-7 C₁₅H₁₄BrNO₂ 
• 1093418-75-7 methyl 4-bromo-2-iodobenzoate 
• 861605-94-9 2-phenoxy-4-bromobenzoic acid 
• 99515-51-2 phenyl 4-bromo-2-hydroxybenzoate 

Relevant articles and documents

IrIII-Catalyzed Selective ortho-Monoiodination of Benzoic Acids with Unbiased C?H Bonds

An iridium-catalyzed selective ortho-monoiodination of benzoic acids with two equivalent C?H bonds is presented. A wide range of electron-rich and electron-poor substrates undergo the reaction under mild conditions, with >20:1 mono/di selectivity. Importantly, the C?H iodination occurs selectively ortho to the carboxylic acid moiety in substrates bearing competing coordinating directing groups. The reaction is performed at room temperature and no inert atmosphere or exclusion of moisture is required. Mechanistic investigations revealed a substrate-dependent reversible C?H activation/protodemetalation step, a substrate-dependent turnover-limiting step, and the crucial role of the AgI additive in the deactivation of the iodination product towards further reaction.

One-Pot Synthesis and Conformational Analysis of Six-Membered Cyclic Iodonium Salts

Two one-pot procedures for the construction of carbon-bridged diaryliodonium triflates and tetrafluoroborates are described. Strong Br?nsted acids enable the effective Friedel-Crafts alkylation with diversely substituted o-iodobenzyl alcohol derivatives, providing diphenylmethane scaffolds, which are subsequently oxidized and cyclized to the corresponding dibenzo[b,e]iodininium salts. Based on NMR investigations and density functional theory (DFT) calculations, we could verify the so-far-undescribed existence of two stable isomers in cyclic iodonium salts substituted with aliphatic side chains in the carbon bridge.