2-Chloro-6-mercapto benzonitrile

Base Information

• Chemical Name: 2-Chloro-6-mercapto benzonitrile
• CAS No.: 72371-52-9
• Molecular Formula: C7H4ClNS
• Molecular Weight: 169.634
• Mol file: 72371-52-9.mol

Synonyms:2-Chloro-6-mercaptobenzonitrile;3-Chloro-2-cyanothiophenol;2-chloro-6-sulfanylbenzonitrile;

Chemical Property of 2-Chloro-6-mercapto benzonitrile

Chemical Property:

• Boiling Point: 310.2 °C at 760 mmHg
• Flash Point: 141.4 °C
• PSA: 62.59000
• Density: 1.35 g/cm³
• LogP: 2.50038

Purity/Quality:

99%, ^*data from raw suppliers

2-chloro-6-sulfanylbenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-Chloro-6-mercapto benzonitrile

There total 4 articles about 2-Chloro-6-mercapto 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: 86.0%

2-chloro-6-fluorobenzonitrile (668-45-1) → 2-chloro-6-mercapto-benzonitrile (72371-52-9)

Guidance literature:

2-chloro-6-fluorobenzonitrile; With sodium sulfide; In N,N-dimethyl-formamide; at 20 ℃; for 1h; Inert atmosphere;

With hydrogenchloride; zinc; In water; Cooling with ice; Inert atmosphere;

DOI:10.1016/j.tetlet.2012.03.032

Reference yield:

2,6-dichloro-benzonitrile (1194-65-6) → 2-chloro-6-mercapto-benzonitrile (72371-52-9)

Guidance literature:

With sodiumsulfide nonahydrate; In dimethyl sulfoxide; at 70 ℃; for 1h;

Reference yield:

4-chloro-1,2-benzisothiazole (25380-61-4) → 2-chloro-6-mercapto-benzonitrile (72371-52-9)

Guidance literature:

With sodium methylate; In methanol; for 8h; Yield given; Heating;

upstream raw materials:

4-chloro-1,2-benzisothiazole

2,6-dichlorobenzaldehyde

2-chloro-6-fluorobenzonitrile

2,6-dichloro-benzonitrile

Downstream raw materials:

bis-(3-chloro-2-cyano-phenyl)-disulfide

Refernces

• 1、 -. "HCV PROTEASE INHIBITORS". Paragraph 0026; 0027. . Retrieved 2014/06/24.
• 2、 Taldone, Tony,Patel, Pallav D.,Patel, Hardik J.,Chiosis, Gabriela. "About the reaction of aryl fluorides with sodium sulfide: Investigation into the selectivity of substitution of fluorobenzonitriles to yield mercaptobenzonitriles via SNAr displacement of fluorine". supporting information; experimental part. p. 2548 - 2551. Retrieved 2012/06/15.