Benzonitrile, 4-(chloroacetyl)- (9CI)

Base Information

• Chemical Name: Benzonitrile, 4-(chloroacetyl)- (9CI)
• CAS No.: 40805-50-3
• Molecular Formula: C9H6ClNO
• Molecular Weight: 179.606
• Hs Code.: 2926909090
• Mol file: 40805-50-3.mol

Synonyms:4-cyanophenacyl chloride;4-(CHLOROACETYL)-BENZONITRILE;Benzonitrile,4-(chloroacetyl);4-cyanophenyl chloromethyl ketone;4-(2-chloroacetyl)benzenecarbonitrile;2-chloro-4'-cyanoacetophenone;

Chemical Property of Benzonitrile, 4-(chloroacetyl)- (9CI)

Chemical Property:

• Vapor Pressure: 8.77E-05mmHg at 25°C
• Boiling Point: 340.1°C at 760 mmHg
• Flash Point: 159.5°C
• PSA: 40.86000
• Density: 1.26g/cm³
• LogP: 1.97978

Purity/Quality:

99% ^*data from raw suppliers

4-(chloroacetyl)benzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzonitrile, 4-(chloroacetyl)- (9CI)

There total 8 articles about Benzonitrile, 4-(chloroacetyl)- (9CI) 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: 99.0%

→ 4-(2-chloroacetyl)benzenecarbonitrile (40805-50-3)

Guidance literature:

With N,N,N-trimethylbenzenemethanaminium dichloroiodate; In tetrahydrofuran; at 20 ℃; for 72h; Inert atmosphere;

Reference yield: 77.0%

4-ethenylbenzonitrile (3435-51-6) → 4-(2-chloroacetyl)benzenecarbonitrile (40805-50-3)

Guidance literature:

With magnesium(II) chloride hexahydrate; oxygen; lithium perchlorate; manganese(ll) chloride; In dichloromethane; acetone; at 40 ℃; for 40h; Electrochemical reaction;

DOI:10.1039/c9cc06746a

Reference yield: 74.0%

4-cyanophenyl methyl ketone (1443-80-7) → 4-(2-chloroacetyl)benzenecarbonitrile (40805-50-3)

Guidance literature:

With sulforyl chloride; In chloroform;

DOI:10.1021/ja00294a050

upstream raw materials:

4-aminophenacyl chloride

2-diazo-1-(4-cyanophenyl)ethanone

4-cyanophenyl methyl ketone

4-bromobenzenecarbonitrile

Downstream raw materials:

4-cyanophenyl methyl ketone

4-(2-phenyl-1H-indole-3-carbonyl)benzonitrile

2-azido-1-(4'-cyanophenyl)ethanone

(S)-(+)-2-(4-cyanophenyl)oxirane

Refernces

• 1、 Luo, Zhibin,Meng, Yunge,Gong, Xinchi,Wu, Jie,Zhang, Yulan,Ye, Long-Wu,Zhu, Chunyin. "Facile Synthesis of α-Haloketones by Aerobic Oxidation of Olefins Using KX as Nonhazardous Halogen Source". supporting information. p. 173 - 177. Retrieved 2020/01/02.
• 2、 Tian, Siyu,Lv, Shide,Jia, Xiaofei,Ma, Li,Li, Baoying,Zhang, Guofeng,Gao, Wei,Wei, Yingqin,Chen, Jianbin. "CV-driven Optimization: Cobalt-Catalyzed Electrochemical Expedient Oxychlorination of Alkenes via ORR". supporting information. p. 5626 - 5633. Retrieved 2019/11/22.