2-Chloro-3-(4-chlorophenyl)propanenitrile

Base Information

• Chemical Name: 2-Chloro-3-(4-chlorophenyl)propanenitrile
• CAS No.: 17849-64-8
• Molecular Formula: C₉H₇Cl₂N
• Molecular Weight: 200.067
• DSSTox Substance ID: DTXSID40274864
• Nikkaji Number: J1.557.280I

Synonyms:17849-64-8;2-chloro-3-(4-chlorophenyl)propanenitrile;2-CHLORO-3-(4-CHLOROPHENYL)PROPIONITRILE;DTXSID40274864;2-chloro-3-(4-chlorophenyl)-propionitrile

Chemical Property of 2-Chloro-3-(4-chlorophenyl)propanenitrile

Chemical Property:

• Vapor Pressure: 0.000395mmHg at 25°C
• Boiling Point: 317°C at 760 mmHg
• Flash Point: 137.2°C
• Density: 1.283g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 198.9955546
• Heavy Atom Count: 12
• Complexity: 176

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC(C#N)Cl)Cl

Technology Process of 2-Chloro-3-(4-chlorophenyl)propanenitrile

There total 5 articles about 2-Chloro-3-(4-chlorophenyl)propanenitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

4-chloro-aniline (106-47-8) + acrylonitrile (107-13-1,25014-41-9) → 2-chloro-3-(4-chloro-phenyl)-propionitrile (17849-64-8)

Guidance literature:

With tert.-butylnitrite; copper dichloride; In acetonitrile;

DOI:10.1021/jo00434a018

Reference yield:

4-chlorophenyldiazonium salt (17333-85-6) + acrylonitrile (107-13-1,25014-41-9) → 2-chloro-3-(4-chloro-phenyl)-propionitrile (17849-64-8)

Guidance literature:

anschliessend Behandeln mit einer aus CuCl und wss. LiCl hergestellten Loesung;

DOI:10.1021/ja01624a041

Reference yield:

sodium acetate (127-09-3) + acrylonitrile (107-13-1,25014-41-9) → 2-chloro-3-(4-chloro-phenyl)-propionitrile (17849-64-8)

Guidance literature:

With acetone; copper dichloride;

DOI:10.1007/BF00899393

upstream raw materials:

4-chlorophenyldiazonium salt

acrylonitrile

4-chloro-aniline

sodium acetate

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