79002-39-4

Basic information

• Product Name: 1-BENZOFURAN-5-CARBONITRILE
• Synonyms: 1-BENZOFURAN-5-CARBONITRILE;1-Benzofurane-5-carbonitrile;Benzofuran-5-carbonitrile;1-Benzofuran-5-carbonitrile ,97%;5-Cyano-benzofuran
• CAS NO: 79002-39-4
• Molecular Formula: C₉H₅NO
• Molecular Weight: 143.14
• EINECS: 200-589-5
• Mol File: 79002-39-4.mol
• Article Data: 14

Chemical Properties

• Melting Point: 84 °C
• Boiling Point: 260.8 °C at 760 mmHg
• Flash Point: 111.6 °C
• Appearance: /
• Density: 1.22 g/cm³
• Vapor Pressure: 0.0119mmHg at 25°C
• Refractive Index: 1.627
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 1-BENZOFURAN-5-CARBONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-BENZOFURAN-5-CARBONITRILE(79002-39-4)
• EPA Substance Registry System: 1-BENZOFURAN-5-CARBONITRILE(79002-39-4)

Safety Data

• Hazard Codes: Xn
• Statements: 20/21/22-41
• Safety Statements: 26-39
• Hazardous Substances Data: 79002-39-4(Hazardous Substances Data)

Usage

Chemical Properties

white to light yellow crystal powde

InChI:InChI=1/C9H5NO/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5H

Upstream product

• 23145-07-5 5-bromobenzofuran 
• 60770-65-2 5-(methylthio)benzofuran 
• 1129-35-7 4-cyanobenzoic acid methyl ester 
• 557-21-1 zinc(II) cyanide 
• 90923-69-6 3-allyl-4-hydroxy-benzonitrile 
• 767-00-0 4-cyanophenol 
• 33148-47-9 4-allyloxy-benzonitrile 
• 10035-16-2 benzofuran-5-carbaldehyde 
• 60770-67-4 5-iodobenzofuran 
• 129969-69-3 1-bromo-4'-(2,2-dimethoxyethoxy)benzene 
• 106-41-2 4-bromo-phenol 
• 544-92-3 copper(I) cyanide 

Downstream Products

• 190775-71-4 1-(benzofuran-5-yl)ethan-1-one 
• 37798-08-6 (1-benzofuran-5-yl)methanamine 
• 1307230-52-9 5-(3-(benzofuran-5-yl)-1,2,4-oxadiazol-5-yl)-2-isopropoxybenzonitrile 
• 1307231-09-9 N-hydroxybenzofuran-5-carboximidamide 
• 10035-16-2 benzofuran-5-carbaldehyde 

Relevant articles and documents

Nickel-Catalyzed Reversible Functional Group Metathesis between Aryl Nitriles and Aryl Thioethers

We describe a new functional group metathesis between aryl nitriles and aryl thioethers. The catalytic system nickel/dcype is essential to achieve this fully reversible transformation in good to excellent yields. Furthermore, the cyanide- and thiol-free reaction shows high functional group tolerance and great efficiency for the late-stage derivatization of commercial molecules. Finally, synthetic applications demonstrate its versatility and utility in multistep synthesis.

Design and synthesis of C3-symmetric molecules containing oxepine and benzofuran moieties via Metathesis

We report a new synthetic strategy to C3-symmetric star-shaped phenyl and triazine central cores bearing oxepine and benzofuran ring systems. In this regard, we have explored the application of metathetic strategy to construct C3-sym

Difluorocarbene-Based Cyanation of Aryl Iodides

A large number of efficient cyanation methods have been developed because of the wide range of applications of nitriles, but conventional methods usually suffer from the need for a toxic cyanation reagent. Although difluorocarbene chemistry has received increasing attention, the use of difluorocarbene as a sources of the nitrile carbon for nitrile groups remains largely unexplored. We describe a difluorocarbene-based cyanation of aryl iodides promoted by a cheap copper source, Cu(NO 3) 2 ·2.5H 2 O, under an air atmosphere. Ph 3 P + CF 2 CO 2-, an easily available and shelf-stable difluorocarbene reagent, and NaNH 2 are used as the carbon source and the nitrogen source for the nitrile group, respectively. The cyanation protocol is attractive because no toxic reagent is used and performing the reactions under an air atmosphere is operationally convenient.