126417-77-4

Basic information

• Product Name: 2-Propenenitrile, 3-chloro-3-(4-fluorophenyl)-, (2Z)-
• Synonyms: (Z)-3-Chloro-3-(4-fluoro-phenyl)-acrylonitrile
• CAS NO: 126417-77-4
• Molecular Formula: C9H5ClFN
• Molecular Weight: 181.597
• Mol File: 126417-77-4.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: 2-Propenenitrile, 3-chloro-3-(4-fluorophenyl)-, (2Z)-(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Propenenitrile, 3-chloro-3-(4-fluorophenyl)-, (2Z)-(126417-77-4)
• EPA Substance Registry System: 2-Propenenitrile, 3-chloro-3-(4-fluorophenyl)-, (2Z)-(126417-77-4)

Safety Data

• Hazardous Substances Data: 126417-77-4(Hazardous Substances Data)

Usage

Physical state

Colorless to pale yellow liquid

Odor

Sweet smell

Main uses

Intermediate in pharmaceuticals and agrochemical manufacturing, production of specialty polymers, building block for organic compound synthesis

Reactivity

Reactive compound that requires careful handling due to potential hazards

Upstream product

• 403-42-9 1-(4-fluorophenyl)ethanone 
• 68-12-2 N,N-dimethyl-formamide 
• 55338-97-1 β-chloro-β-(4-fluorophenyl)acrylaldehyde 

Downstream Products

• 575433-43-1 3-(4-fluorophenyl)-2-propynenitrile 
• 237435-44-8 ethyl 3-amino-5-(4-fluorophenyl)pyrrole-2-carboxylate 
• 1021443-96-8 3-amino-5-(4-fluorophenyl)-2-nitrothiophene 
• 914386-44-0 4-[(Z)-2-Cyano-1-(4-fluoro-phenyl)-vinyl]-N-methyl-benzamide 
• 914386-41-7 (E)-3-(4-Fluoro-phenyl)-3-(3-methanesulfonyl-phenyl)-acrylonitrile 
• 914386-52-0 3-[(E)-2-Cyano-1-(4-fluoro-phenyl)-vinyl]-N-methyl-benzamide 
• 914386-37-1 (E)-3-(4-Fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-acrylonitrile 
• 914386-31-5 4-[(E)-2-Cyano-1-(4-fluoro-phenyl)-vinyl]-benzamide 

Relevant articles and documents

Transition Metal-Free Approach to Propynenitriles and 3-Chloropropenenitriles

A transition metal-free, facile and efficient one-pot protocol for the synthesis of propynenitriles from readily available 3-chloropropenals is disclosed. The reaction conditions have also been optimized for the exclusive formation and isolation of 3-chloropropenenitriles which are important building blocks in general and are intermediates in the synthesis of propynenitriles. The hallmark of the methodology is the use of non-toxic reagents, milder, metal-free and economically benign reaction conditions avoiding a harsh dehydration step while achieving excellent yields.

Azoles. Part 25: Isomeric 3- and 5-aminopyrazole derivatives

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