2-(2-Chloroacetyl)benzonitrile

Base Information

• Chemical Name: 2-(2-Chloroacetyl)benzonitrile
• CAS No.: 1008-15-7
• Molecular Formula: C₉H₆ClNO
• Molecular Weight: 179.606
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID10143513
• Nikkaji Number: J42.014J
• Wikidata: Q83007413
• Mol file: 1008-15-7.mol

Synonyms:2-(2-chloroacetyl)benzonitrile;1008-15-7;USAF uctl-668;BENZONITRILE, o-(CHLOROACETYL)-;BRN 2088199;alpha-Chloro-o-cyanoacetophenone;2-(chloroacetyl)benzonitrile;Benzonitrile, 2-(Chloroacetyl)- (9Ci);Benzonitrile, 2-(2-chloroacetyl)-;o-(Chloroacetyl)benzonitrile;DTXSID10143513;LS-38655

Chemical Property of 2-(2-Chloroacetyl)benzonitrile

Chemical Property:

• Vapor Pressure: 0.000149mmHg at 25°C
• Boiling Point: 332.1°Cat760mmHg
• Flash Point: 154.6°C
• PSA: 40.86000
• Density: 1.26g/cm³
• LogP: 1.97978
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 179.0137915
• Heavy Atom Count: 12
• Complexity: 218

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(CHLOROACETYL)-BENZONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C#N)C(=O)CCl

Technology Process of 2-(2-Chloroacetyl)benzonitrile

There total 2 articles about 2-(2-Chloroacetyl)benzonitrile 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:

o-cyanobromobenzene (2042-37-7) + chloroacetyl chloride (79-04-9) → o-cyano-alpha-chloroacetophenone (1008-15-7)

Guidance literature:

With lithium bromide; zinc; Yield given. Multistep reaction; 1.) THF, 30 min, 2.) THF, from -40 deg C to RT;

DOI:10.1080/00397919508011467

Reference yield:

→ o-cyano-alpha-chloroacetophenone (1008-15-7)

Guidance literature:

2-Diazoacetyl-benzonitril, Chlorwasserstoff in Diaethylaether;

DOI:10.1039/jr9650001428

upstream raw materials:

o-cyanobromobenzene

chloroacetyl chloride