60694-92-0

Basic information

• Product Name: 4-(iodoacetyl)benzonitrile
• Synonyms: 4-(Iodoacetyl)benzonitrile; benzonitrile, 4-(2-iodoacetyl)-; Benzonitrile, 4-(iodoacetyl)-
• CAS NO: 60694-92-0
• Molecular Formula: C₉H₆INO
• Molecular Weight: 271.0545
• Mol File: 60694-92-0.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 383.1°C at 760 mmHg
• Flash Point: 185.5°C
• Density: 1.8g/cm³
• Vapor Pressure: 4.52E-06mmHg at 25°C
• Refractive Index: 1.633
• CAS DataBase Reference: 4-(iodoacetyl)benzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(iodoacetyl)benzonitrile(60694-92-0)
• EPA Substance Registry System: 4-(iodoacetyl)benzonitrile(60694-92-0)

Safety Data

• Hazardous Substances Data: 60694-92-0(Hazardous Substances Data)

Upstream product

• 20099-89-2 4-Cyanophenacyl bromide 
• 1443-80-7 4-cyanophenyl methyl ketone 
• 3435-51-6 4-ethenylbenzonitrile 

Downstream Products

• 1394973-44-4 4-(benzo[d]thiazole-2-carbonyl)benzonitrile 

Relevant articles and documents

A practical synthesis of α-bromo/iodo/chloroketones from olefins under visible-light irradiation conditions

A practical synthesis of α-bromo/iodo/chloroketones from olefins under visible-light irradiation conditions has been developed. In the presence of PhI(OAc)2 as promoter and under ambient conditions, the reactions of styrenes and triiodomethane undergo the transformation smoothly to deliver the corresponding α-iodoketones without additional photocatalyst in good yields under sunlight irradiation. Meanwhile, the reactions of styrenes with tribromomethane and trichloromethane generate the desired α-bromoketones and α-chloroketones in high yields by using Ru(bpy)3Cl2 as a photocatalyst under blue LED (450–455 nm) irradiation.

A multipathway coupled domino strategy: Metal-free oxidative cyclization for one-pot synthesis of 2-acylbenzothiazoles from multiform substrates

A multipathway coupled domino strategy has been developed for the efficient synthesis of 2-acylbenzothiazoles from multiform substrates arylethenes, arylacetylenes, 2-hydroxy-aromatic ketones, and carbinols via four distinct pathways. Through a logical coupled oxidation/heterocyclization domino process, a variety of 2-acylbenzothiazoles were synthesized free of metal in one pot.

Carbon-13 NMR Spectra of Some 4-Substituted Phenacyl Chlorides and Iodides

The 13C NMR signals for some 4-substituted phenacyl chlorides and iodides were assigned.The carbonyl carbons exhibit upfield shifts compared with those of the corresponding 4-substituted acethophenones; in the chlorinated derivatives a downfield shift is observed for the α-methylene carbons, while a reverse effect occurs in the iodinated compounds.The chemical shifts of the aromatic ring carbons are in close agreement with those calculated using substituent chemical shifts.KEY WORDS 13C NMR 4-substituted pheacyl chlorides and iodides