3336-26-3

Basic information

• Product Name: 3-bromo-4-hydroxy-5-iodobenzonitrile
• Synonyms: 3-bromo-4-hydroxy-5-iodobenzonitrile;3-Bromo-5-iodo-4-hydroxybenzonitrile
• CAS NO: 3336-26-3
• Molecular Formula: C₇H₃BrINO
• Molecular Weight: 323.91329
• EINECS: 222-070-3
• Mol File: 3336-26-3.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 270.1 °C at 760mmHg
• Flash Point: 117.2 °C
• Appearance: /
• Density: 2.49 g/cm³
• Vapor Pressure: 0.00421mmHg at 25°C
• Refractive Index: 1.759
• CAS DataBase Reference: 3-bromo-4-hydroxy-5-iodobenzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 3-bromo-4-hydroxy-5-iodobenzonitrile(3336-26-3)
• EPA Substance Registry System: 3-bromo-4-hydroxy-5-iodobenzonitrile(3336-26-3)

Safety Data

• Hazardous Substances Data: 3336-26-3(Hazardous Substances Data)

Usage

General Description

3-bromo-4-hydroxy-5-iodobenzonitrile is a chemical compound that belongs to the class of benzonitriles, which are often used in pharmaceuticals and agrochemicals. This particular compound is a derivative of benzonitrile and is characterized by the presence of bromine, hydroxyl, and iodine groups on the benzene ring. It is used in the synthesis of various organic compounds and can also be used as an intermediate in the production of pharmaceuticals and agrochemicals. Additionally, its unique structure and properties make it a valuable compound for research and development in the fields of chemistry and chemical engineering.

InChI:InChI=1/C7H3BrINO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H

Upstream product

• 2315-86-8 3-bromo-4-hydroxybenzonitrile 

Downstream Products

• 3849-66-9 3-Brom-5-jod-4-acetoxybenzonitril 

Relevant articles and documents

Potassium 4-iodylbenzenesulfonate: Preparation, structure, and application as a reagent for oxidative iodination of arenes

A new hypervalent iodine(V) compound, potassium 4-iodylbenzenesulfonate, was prepared by the oxidation of 4-iodobenzensulfonic acid with Oxone in water. This potassium salt can be further converted into 4-iodylbenzenesulfonic acid by treatment with the acidic form of Amberlyst 15 in water. A single-crystal X-ray structure of potassium 4-iodylbenzenesulfonate revealed the presence of polymeric chains in the solid state due to a combination of numerous intra- and intermolecular interactions. Potassium 4-iodylbenzenesulfonate will likely find many practical applications as a thermally stable and water-soluble hypervalent iodine-based oxidant, particularly useful as a reagent for oxidative iodination of aromatic substrates. This reagent can be effectively recovered from the reaction mixture (92 % recovery) by treatment of the aqueous layer with Oxone at 60°C for 2 h, followed by filtration of the precipitate. A new hypervalent iodine(V) compound, potassium 4-iodylbenzenesulfonate, was prepared by oxidation of 4-iodobenzenesulfonic acid with Oxone in water. This new reagent promises many practical applications as a thermally stable, water-soluble and recyclable hypervalent iodine oxidant, particularly useful for oxidative iodination of aromatic substrates.