1000577-94-5

Basic information

• Product Name: 3-Bromo-4-iodobenzonitrile
• Synonyms: 3-Bromo-4-iodobenzonitrile;1-BROMO-5-CYANO-2-IODOBENZENE
• CAS NO: 1000577-94-5
• Molecular Formula: C₇H₃BrIN
• Molecular Weight: 307.91389
• Mol File: 1000577-94-5.mol
• Article Data: 3

Chemical Properties

• Melting Point: 139-140 °C(Solv: ethanol (64-17-5))
• Boiling Point: 308.3±27.0 °C(Predicted)
• Appearance: /
• Density: 2.31±0.1 g/cm3(Predicted)
• Storage Temp.: 2-8°C(protect from light)
• CAS DataBase Reference: 3-Bromo-4-iodobenzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Bromo-4-iodobenzonitrile(1000577-94-5)
• EPA Substance Registry System: 3-Bromo-4-iodobenzonitrile(1000577-94-5)

Safety Data

• Hazardous Substances Data: 1000577-94-5(Hazardous Substances Data)

Usage

General Description

3-Bromo-4-iodobenzonitrile is a chemical compound that belongs to the class of benzonitriles, which are aromatic compounds containing a cyano group attached to a benzene ring. This particular compound is characterized by the presence of bromine and iodine atoms on the benzene ring, giving it potentially valuable properties for use in organic synthesis and pharmaceutical research. It can be used as a building block in the synthesis of various biologically active compounds, and its unique structure may also make it useful as a catalyst in certain chemical reactions. Additionally, 3-Bromo-4-iodobenzonitrile may have potential applications in the development of new materials and fine chemicals due to its distinct chemical properties. It is important to handle this chemical with caution, as it may have some hazardous properties and should only be used by trained professionals in a controlled laboratory setting.

Upstream product

• 873-74-5 4-Aminobenzonitrile 
• 50397-74-5 2-bromo-4-cyanoaniline 

Downstream Products

• 1374636-46-0 C₁₄H₆Br₂N₂S₂ 
• 1374636-51-7 S-(2-bromo-4-cyanophenyl)benzenesulfonothioate 
• 1374636-57-3 3-bromo-4-(((trimethylsilyl)ethynyl)thio)benzonitrile 
• 1616624-62-4 (E)-[2-(2-bromo-4-cyanophenyl)-1,2-diphenylvinyl]trimethylstannane 
• 1616624-67-9 (E)-1,2-bis(2-bromo-4-cyanophenyl)-1,2-diphenylethene 
• 1217102-18-5 2-methyl-3-phenyl-3H-benzimidazole-5-carbonitrile 

Relevant articles and documents

Gold(I)-Catalyzed Cascade Cyclization Reactions of Allenynes for the Synthesis of Fused Cyclopropanes and Acenaphthenes

A gold-catalyzed reaction of phenylene-tethered allenynes with benzofurans gave 1-(naphth-1-yl)cyclopropa[b]benzofuran derivatives, whereas the reaction of 1-allenyl-2-ethynyl-3-methylbenzene derivatives in the absence of benzofurans gave acenaphthenes in good yields. These results can be rationalized by nucleophilic attack of the alkyne moiety on an activated allene to form a vinyl cation intermediate.

Palladium-catalyzed aryl amination-heck cyclization cascade: A one-flask approach to 3-substituted indoles

(Chemical Equation Presented) Two for the price of one: A Pd/dppf-based catalyst provides access to the title compounds from 1,2-dihalogenated aromatic compounds and allylic amines in a single reaction flask. The initial aryl amination step occurs with excellent selectivity for the aryl iodide to ensure the formation of a single indole regioisomer, which can be functionalized in situ by N-arylation (see scheme). dba = dibenzylideneacetone, dppf = 1,1′-bis(diphenylphospanyl)ferrocene.