22057-44-9

Basic information

• Product Name: 1-(BENZYLSULFANYL)-2-NITROBENZENE
• Synonyms: 1-(BENZYLSULFANYL)-2-NITROBENZENE;BENZYL 2-NITROPHENYL THIOETHER;benzyl 2-nitrophenyl sulfide
• CAS NO: 22057-44-9
• Molecular Formula: C₁₃H₁₁NO₂S
• Molecular Weight: 245.3
• Mol File: 22057-44-9.mol
• Article Data: 13

Chemical Properties

• Melting Point: 80-81°
• Boiling Point: 380.2°C at 760 mmHg
• Flash Point: 183.7°C
• Appearance: /
• Density: 1.27g/cm³
• Vapor Pressure: 1.22E-05mmHg at 25°C
• Refractive Index: 1.648
• CAS DataBase Reference: 1-(BENZYLSULFANYL)-2-NITROBENZENE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(BENZYLSULFANYL)-2-NITROBENZENE(22057-44-9)
• EPA Substance Registry System: 1-(BENZYLSULFANYL)-2-NITROBENZENE(22057-44-9)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 22057-44-9(Hazardous Substances Data)

Usage

General Description

1-(Benzylsulfanyl)-2-nitrobenzene, also known as 2-Nitrothiophenol, is a chemical compound with the molecular formula C13H11NO2S. It is a yellow crystalline solid that is commonly used in the synthesis of pharmaceuticals, agrochemicals, and dyes. This chemical is primarily used as an intermediate in the production of various compounds and is known for its strong odor. It is important to handle this chemical with caution as it can cause irritation to the skin and eyes, and may have harmful effects if ingested or inhaled. Additionally, it is important to follow proper safety procedures when handling and storing 1-(Benzylsulfanyl)-2-nitrobenzene to prevent any potential hazards.

InChI:InChI=1/C13H11NO2S/c15-14(16)12-8-4-5-9-13(12)17-10-11-6-2-1-3-7-11/h1-9H,10H2

Upstream product

• 4463-42-7 benzyl boronic acid 
• 7669-54-7 2-nitrobenzenesulfenyl chloride 
• 100-53-8 phenylmethanethiol 
• 1493-27-2 ortho-nitrofluorobenzene 
• 4875-10-9 o-nitrothiophenol 
• 100-44-7 benzyl chloride 
• 5455-59-4 2-Nitrobenzenesulfonamide 
• 577-19-5 2-nitrophenyl bromide 
• 100-39-0 benzyl bromide 
• 88-73-3 2-Chloronitrobenzene 
• 50580-12-6 2-(2-Nitro-phenyl)-isothiourea 
• 150-60-7 dibenzyl disulphide 
• 609-73-4 o-nitroiodobenzene 

Downstream Products

• 1402734-89-7 2-methyl-5-((2-nitrophenyl)disulfanyl)-1,3,4-thiadiazole 
• 1402734-75-1 2-(2-nitro-phenyldisulfanyl)-5-phenyl-[1,3,4]thiadiazole 
• 1402734-79-5 N-[5-(2-nitro-phenyldisulfanyl)-[1,3,4]thiadiazol-2-yl]acetamide 
• 1402734-66-0 2-((2-nitrophenyl)disulfanyl)-1,3,4-thiadiazole 
• 1402734-95-5 2-((2-nitrophenyl)disulfanyl)-5-phenyl-1,3,4-oxadiazole 
• 1402735-00-5 2-((2-nitrophenyl)disulfanyl)-5-(pyridin-3-yl)-1,3,4-oxadiazole 
• 1402735-03-8 2-((2-nitrophenyl)disulfanyl)-5-(pyridin-4-yl)-1,3,4-oxadiazole 
• 142913-02-8 2-((2-(benzylthio)phenylimino)methyl)phenol 
• 883-93-2 2-Phenylbenzothiazole 
• 72496-78-7 indol-3-yl 2-nitrophenyl sulphide 
• 20912-12-3 4-(2-nitrophenylmercapto)phenol 
• 78315-86-3 1-hydroxy-4-(2-nitrophenylthio)naphthalene 
• 24059-34-5 1-(2-nitrophenylthio)naphthalen-2-ol 
• 1694-92-4 2-Nitrobenzenesulfonyl chloride 

Relevant articles and documents

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The invention relates to a thiourea as the sulfur source synthesis of substituted 2 - aryl benzo thiazole

The invention discloses a method for synthesizing poly-substituted 2-aryl benzothiazoles by utilizing thiourea as a sulphur source. According to the method, thiourea reacts with benzyl chloride to generate an S-benzylisothiourea salt in situ. After that, through the aromatic nucleophilic substitution reaction of the obtained S-benzylisothiourea salt with 2-fluoronitrobenzene and then the one-step reduction (one-pot reaction) process, o-amino phenyl benzyl thioether as an intermediate product can be obtained. Finally, through the iron-catalyzed cross-dehydrogenative-coupling reaction of the o-amino phenyl benzyl thioether, a target product can be obtained. Compared with the traditional synthetic method, the method has the significant advantages of (1) short reaction step, wherein the target product can be synthesized through only three steps of simple reactions by utilizing simple chemical raw materials; (2) mild reaction condition, high atom economy, and relatively safe and cheap reaction reagents; (3) high reaction yield, good substrate tolerance and free of any dangerous or high-toxicity reagent. Therefore, the method might be applied to the large-scale production.

Facile aromatic nucleophilic substitution (SNAr) reactions in ionic liquids: An electrophile-nucleophile dual activation by [Omim]Br for the reaction

A facile aromatic nucleophilic substitution (SNAr) reaction in recyclable [Omim]Br under relatively mild conditions has been described. An electrophile-nucleophile dual activation by [Omim]Br is also discovered based on control experiments, 1H NMR and IR spectroscopies. This chemistry provides an efficient and metal-free approach for the generation of Caryl-X (XS, N, O) bonds, many of which are significant synthetic intermediates or drugs, making this methodology attractive to both synthetic and medicinal chemistry.