alpha-Chloro-4-bromobenzenepropanenitrile

Base Information

• Chemical Name: alpha-Chloro-4-bromobenzenepropanenitrile
• CAS No.: 17849-33-1
• Molecular Formula: C₉H₇BrClN
• Molecular Weight: 244.518
• DSSTox Substance ID: DTXSID401288073
• Nikkaji Number: J1.011.842E

Synonyms:DTXSID401288073;4-Bromo-alpha-chlorobenzenepropanenitrile;alpha-Chloro-4-bromobenzenepropanenitrile;17849-33-1

Chemical Property of alpha-Chloro-4-bromobenzenepropanenitrile

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 242.94504
• Heavy Atom Count: 12
• Complexity: 178

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of alpha-Chloro-4-bromobenzenepropanenitrile

There total 3 articles about alpha-Chloro-4-bromobenzenepropanenitrile 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: 61.0%

acrylonitrile (107-13-1,25014-41-9) + 4-bromo-benzenediazonium; tetrachloro cuprate(II) → 3-(4-bromo-phenyl)-2-chloro-propionitrile (17849-33-1)

Guidance literature:

In water; acetone; at 20 - 25 ℃; for 2.5h;

DOI:10.1016/S0040-4039(98)02165-0

Reference yield:

4-bromo-benzenediazonium ion (17333-82-3) + acrylonitrile (107-13-1,25014-41-9) → 3-(4-bromo-phenyl)-2-chloro-propionitrile (17849-33-1)

Guidance literature:

With magnesium oxide; acetone; copper dichloride;

Reference yield:

→ 3-(4-bromo-phenyl)-2-chloro-propionitrile (17849-33-1)

Guidance literature:

p-BrC6H4N2Cl2, Acrylnitril;

upstream raw materials:

4-bromo-benzenediazonium ion

acrylonitrile

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