40805-50-3

Basic information

• Product Name: Benzonitrile, 4-(chloroacetyl)- (9CI)
• Synonyms: Benzonitrile, 4-(chloroacetyl)- (9CI);4-(2-chloroacetyl)benzonitrile;4-Cyanophenacyl chloride;alpha-Chloro-4'-cyanoacetophenone;4-(Chloroacetyl)benzonitrile
• CAS NO: 40805-50-3
• Molecular Formula: C₉H₆ClNO
• Molecular Weight: 179.60304
• Product Categories: ACETYLHALIDE
• Mol File: 40805-50-3.mol
• Article Data: 14

Chemical Properties

• Boiling Point: 340.1°C at 760 mmHg
• Flash Point: 159.5°C
• Appearance: /
• Density: 1.26g/cm³
• Vapor Pressure: 8.77E-05mmHg at 25°C
• Refractive Index: 1.556
• CAS DataBase Reference: Benzonitrile, 4-(chloroacetyl)- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Benzonitrile, 4-(chloroacetyl)- (9CI)(40805-50-3)
• EPA Substance Registry System: Benzonitrile, 4-(chloroacetyl)- (9CI)(40805-50-3)

Safety Data

• Hazardous Substances Data: 40805-50-3(Hazardous Substances Data)

Usage

General Description

Benzonitrile, 4-(chloroacetyl)- (9CI) is a chemical compound with the molecular formula C9H6ClNO. It is a derivative of benzonitrile, a colorless liquid with a faint almond-like odor. The 4-(chloroacetyl) substitution on the benzonitrile molecule adds a chloroacetyl group, which has the potential to react with a wide variety of functional groups in organic chemistry. Benzonitrile, 4-(chloroacetyl)- (9CI) is primarily used as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. It is important to handle this chemical with caution due to its potential toxicity and flammability.

InChI:InChI=1/C9H6ClNO/c10-5-9(12)8-3-1-7(6-11)2-4-8/h1-4H,5H2

Upstream product

• 2631-71-2 4-aminophenacyl chloride 
• 3435-51-6 4-ethenylbenzonitrile 
• 6068-72-0 4-cyanobenzoyl chlorIde 
• 619-65-8 4-cyanobenzoic Acid 
• 623-00-7 4-bromobenzenecarbonitrile 
• 79-04-9 chloroacetyl chloride 
• 1443-80-7 4-cyanophenyl methyl ketone 
• 3490-50-4 2-diazo-1-(4-cyanophenyl)ethanone 

Downstream Products

• 1443-80-7 4-cyanophenyl methyl ketone 
• 1198464-13-9 4-(2-phenyl-1H-indole-3-carbonyl)benzonitrile 
• 622787-69-3 2-azido-1-(4'-cyanophenyl)ethanone 
• 179694-33-8 (S)-(+)-2-(4-cyanophenyl)oxirane 
• 1035374-47-0 4-((2S)-morpholin-2-yl)benzonitrile hydrochloride 
• 1444827-60-4 5-(4-cyanobenzoyl)-2-((2,3,4,6-tetra-O-acetyl-α-D-mannopyranos-1-yl)amino)thiazole 
• 1001615-58-2 1-(p-Cyanophenyl)-4-pentene-1-one 
• 241479-67-4 Isavuconazole 

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.

The Mn-catalyzed paired electrochemical facile oxychlorination of styrenes: Via the oxygen reduction reaction

Reported herein is the electrochemical engendering of chlorine radicals by a manganese catalyst with a controllable pattern, and inexpensive MgCl2 as the chlorine source. In combination with the oxygen reduction reaction, chloroacetophenones were synthesized with abundant styrene as the feedstock in good to excellent yields.

Systematic Synthesis of Diphenyl-Substituted Carotenoids as Molecular Wires

A general method for the construction of diphenyl-substituted carotenoids has been developed through the stereoselective synthesis of dienyl sulfones with a phenyl substituent. Systematic synthetic pathways to the dienyl sulfones were delineated starting from readily available acetophenones with para-substituent X of various electronic natures, which provided the carotenoids with diverse physicochemical characteristics. The sulfone olefination method together with the Ramberg–B?cklund reaction produced a 9,9′-cis-10,10′-diphenylcarotene and all-trans-9,9′-diphenylcarotenes. Conductance measurements of the all-trans carotenoids by the scanning tunnelling microscopy break-junction method revealed a positional effect of the phenyl groups as well as a polar effect of the phenyl substituent X according to the electronic nature.