5307-86-8

Basic information

• Product Name: 3-[(4-CHLOROPHENYL)THIO]PROPANENITRILE
• Synonyms: 3-[(4-CHLOROPHENYL)THIO]PROPANENITRILE;3-(P-CHLOROPHENYLTHIO)PROPIONITRILE
• CAS NO: 5307-86-8
• Molecular Formula: C₉H₈ClNS
• Molecular Weight: 197.68
• Mol File: 5307-86-8.mol
• Article Data: 8

Chemical Properties

• Melting Point: 54-55 °C(Solv: ethanol (64-17-5))
• Boiling Point: 339.3°C at 760 mmHg
• Flash Point: 159°C
• Appearance: /
• Density: 1.24g/cm³
• Vapor Pressure: 9.24E-05mmHg at 25°C
• Refractive Index: 1.589
• CAS DataBase Reference: 3-[(4-CHLOROPHENYL)THIO]PROPANENITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-[(4-CHLOROPHENYL)THIO]PROPANENITRILE(5307-86-8)
• EPA Substance Registry System: 3-[(4-CHLOROPHENYL)THIO]PROPANENITRILE(5307-86-8)

Safety Data

• Hazardous Substances Data: 5307-86-8(Hazardous Substances Data)

Usage

General Description

3-[(4-chlorophenyl)thio]propanenitrile is a chemical compound with the formula C9H7ClS. It is a nitrile derivative with a 4-chlorophenylthio group attached to a propyl chain. 3-[(4-CHLOROPHENYL)THIO]PROPANENITRILE is commonly used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. It is also known for its strong odor and is considered to be a potential irritant to the skin, eyes, and respiratory system. Additionally, 3-[(4-chlorophenyl)thio]propanenitrile has been studied for its potential biological activity, particularly in the field of cancer research. Overall, this chemical compound has various industrial applications and potential pharmacological uses, making it an important target for further research and development.

InChI:InChI=1/C9H8ClNS/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5H,1,7H2

Upstream product

• 107-13-1 acrylonitrile 
• 106-54-7 p-Chlorothiophenol 
• 1142-19-4 4,4'-dichlorodiphenyl disulfide 

Downstream Products

• 6310-27-6 3-[(4-chlorophenyl)sulfanyl]propanoic acid 
• 90396-00-2 p-chlorophenylsulfonylpropionic acid 

Relevant articles and documents

Reduction cleavage of S-S bond by Zn/Cp2tiCl2: Application for the synthesis of β-arylthiocarbonyl compounds

Diaryl disulfides were reduced efficiently by a Zn/Cp2TiCl 2 system at room temperature in dry THF to give the corresponding nucleophilic sulfur anion-titanocene complex, followed by reaction with α, β-unsaturated esters (ketones or nitriles) to afford the corresponding β-arylthioesters(ketone or nitrile) in good yields.

Indium(I) iodide promoted cleavage of dialkyl disulfides - Application of the Michael addition of thiolate anions to conjugated carbonyl compounds and regioselective ring opening of epoxides

Indium(I) iodide promotes cleavage of dialkyl disulfides generating thiolate anions that then undergo facile addition to α,β-unsaturated ketones, aldehydes, carboxylic esters, and nitriles under neutral conditions producing corresponding β-ketosulfides or β-cyanosulfides. This strategy has also been used for the regioselective nucleophilic ring opening of epoxides by thiolate anions in presence of indium(III) chloride producing corresponding β-hydroxyphenyl sulfides. The reactions are in general, very clean, high yielding, and reasonably fast. Thus, simple and convenient procedures for the synthesis of β-ketosulfides or β-cyanosulfides and β-hydroxyalkyl sulfides have been developed using this cleavage reaction.

A simple and green procedure for the conjugate addition of thiols to conjugated alkenes employing polyethylene glycol (PEG) as an efficient recyclable medium

Polyethylene glycol (PEG) is found to be an inexpensive, nontoxic, environmentally friendly reaction medium for the conjugate addition of thiols to conjugated alkenes to afford the corresponding adducts in excellent yields under mild and neutral condition