6631-86-3

Basic information

• Product Name: S-(4-chlorophenyl) 4-nitrobenzenecarbothioate
• Synonyms: S-(4-chlorophenyl) 4-nitrobenzenecarbothioate
• CAS NO: 6631-86-3
• Molecular Formula: C₁₃H₈ClNO₃S
• Molecular Weight: 293.72552
• Mol File: 6631-86-3.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 441.2°Cat760mmHg
• Flash Point: 220.7°C
• Appearance: /
• Density: 1.46g/cm³
• Vapor Pressure: 5.53E-08mmHg at 25°C
• Refractive Index: 1.671
• CAS DataBase Reference: S-(4-chlorophenyl) 4-nitrobenzenecarbothioate(CAS DataBase Reference)
• NIST Chemistry Reference: S-(4-chlorophenyl) 4-nitrobenzenecarbothioate(6631-86-3)
• EPA Substance Registry System: S-(4-chlorophenyl) 4-nitrobenzenecarbothioate(6631-86-3)

Safety Data

• Hazardous Substances Data: 6631-86-3(Hazardous Substances Data)

Usage

InChI:InChI=1/C13H8ClNO3S/c14-10-3-7-12(8-4-10)19-13(16)9-1-5-11(6-2-9)15(17)18/h1-8H

Upstream product

• 1142-19-4 4,4'-dichlorodiphenyl disulfide 
• 122-04-3 4-nitro-benzoyl chloride 
• 1515-83-9 1-methoxymethyl-4-nitrobenzene 
• 106-54-7 p-Chlorothiophenol 
• 99-99-0 1-methyl-4-nitrobenzene 
• 555-16-8 4-nitrobenzaldehdye 
• 62-23-7 4-nitro-benzoic acid 

Downstream Products

• 3460-11-5 4-nitrobenzanilide 
• 165543-82-8 4-Nitro-dithiobenzoic acid 4-chloro-phenyl ester 
• 24730-11-8 N-(4-methoxyphenyl)-4-nitrobenzamide 
• 2585-30-0 4-nitro-N-(4-chlorophenyl)benzamide 
• 6917-08-4 N-(4-methylphenyl)-4-nitrobenzamide 

Relevant articles and documents

Methanesulfonic anhydride-promoted sustainable synthesis of thioesters from feedstock acids and thiols

Abstract: An unprecedented metal-, halogen- and solvent-free, MSAA-promoted S-carbonylation of thiols with feedstock acids has been developed. This new transformation provides an efficient and atom-economic strategy for the synthesis of thioesters in a single operation from readily available and inexpensive starting materials. The reaction avoids the use of expensive and hazardous coupling reagents, bases and generates water as the only by-product, thus making this chemical synthetic process more viable, environment-friendly and contributing towards sustainable chemistry. Graphic abstract: [Figure not available: see fulltext.].

Harnessing the catalytic behaviour of 1,1,1,3,3,3-hexafluoro-2-propanol (HFIP): An expeditious synthesis of thioesters

A novel, efficient, metal-, base- and acid-free straightforward protocol has been developed for the construction of useful thioesters. The immense catalytic potential of HFIP for promoting the thiocarbonylation of acyl halides and thiols is disclosed. HFIP was recovered with ease and reused for further reactions without any loss of reactivity. Both aryl and alkyl thiols bearing electron-donating and electron-withdrawing groups as well as aryl- and alkyl acyl halides worked well in this reaction. Inexpensive precursors, short reaction time, obviating workup, high atom economy, and gram-scale preparation are the significant features of the developed eco-friendly route for S-carbonylation of thiols.

Iron-catalyzed thioesterification of methylarenes with thiols in water

An iron-catalyzed coupling reaction of methylarenes with thiols leading to thioesters has been developed. The reactions were carried out in water with tert-butyl hydroperoxide (TBHP) as the oxidant and polyoxyethanyl α-tocopheryl sebacate (PTS) as the sur