6097-21-8

Basic information

• Product Name: 4-NITROPHENACYL THIOCYANATE
• Synonyms: 4-NITROPHENACYL THIOCYANATE;1-(4-NITRO-PHENYL)-2-THIOCYANATO-ETHANONE;4-NITROPHENACYL THIOCYANATE, 95+%;2-(cyanosulfanyl)-1-(4-nitrophenyl)ethan-1-one;2-(4-nitrophenyl)-2-oxoethyl thiocyanate
• CAS NO: 6097-21-8
• Molecular Formula: C₉H₆N₂O₃S
• Molecular Weight: 222.22
• Mol File: 6097-21-8.mol
• Article Data: 21

Chemical Properties

• Melting Point: 119-120 °C
• Boiling Point: 416.7°C at 760 mmHg
• Flash Point: 205.8°C
• Appearance: /
• Density: 1.418g/cm³
• Vapor Pressure: 3.75E-07mmHg at 25°C
• Refractive Index: 1.624
• CAS DataBase Reference: 4-NITROPHENACYL THIOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-NITROPHENACYL THIOCYANATE(6097-21-8)
• EPA Substance Registry System: 4-NITROPHENACYL THIOCYANATE(6097-21-8)

Safety Data

• Hazardous Substances Data: 6097-21-8(Hazardous Substances Data)

Usage

General Description

4-Nitrophenacyl thiocyanate is a chemical compound with the molecular formula C11H9N3O3S. It is a yellow crystalline solid that is used as a reagent in the synthesis of organic compounds. It reacts with amines to form thiocarbamates, which have various applications in the chemical industry. 4-Nitrophenacyl thiocyanate is also used in the production of dyes, pharmaceuticals, and other organic compounds. Additionally, it is a key component in the synthesis of other thiocyanate compounds, which have diverse applications in chemistry and industry. 4-NITROPHENACYL THIOCYANATE should be handled with care due to its potential hazards, including skin and eye irritation, and it should be used in a well-ventilated area and with proper protective equipment.

InChI:InChI=1/C9H6N2O3S/c10-6-15-5-9(12)7-1-3-8(4-2-7)11(13)14/h1-4H,5H2

Upstream product

• 99-81-0 4-Nitrophenacyl bromide 
• 146120-04-9 1-[amino(thioxo)methyl]-5-hydroxy-3-methyl-1H-pyrazole 
• 540-72-7 sodium thiocyanide 
• 1147550-11-5 ammonium thiocyanate 
• 100-19-6 (4-nitrophenyl)ethanone 
• 333-20-0 potassium thioacyanate 
• 100-13-0 4-nitrostyrene 

Downstream Products

• 125488-18-8 2-Morpholino-4-(4-nitro-phenyl)-thiazol 
• 82000-31-5 2-p-Nitrobenzoyl-5H-thiadiazolo<2,3-b>quinazoline-5-one 
• 79576-75-3 C₁₈H₁₀N₄O₄S₃ 
• 128699-91-2 N,N'-Dimethyl-N,N'-bis<4-(4-nitro-phenyl)-thiazol-2-yl>-1,2-diaminoethane 
• 329015-71-6 N-[4-(4-nitrophenyl)thiazol-2-yl]-S-trityl-L-cysteine 
• 287935-20-0 (S)-(+)-N-[4-(4-nitro-phenyl)-thiazol-2-yl]-S-(triphenylmethyl)-cysteine methyl ester 
• 329015-72-7 N-[4-(4-nitrophenyl)thiazol-2-yl]-S-trityl-DL-cysteine 
• 2104-08-7 4-(4-nitrophenyl)-2-oxo-thiazole 
• 1007583-32-5 2-bromo-4-(4-nitrophenyl)-1,3-thiazole 
• 329015-88-5 (R)-3-Mercapto-2-[4-(4-nitro-phenyl)-thiazol-2-ylamino]-propionic acid methyl ester 
• 329015-78-3 2-(5,6-dihydro-1,4,2-dioxazin-3-yl)-2-{[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino}ethanethiol 
• 329015-77-2 (2R)-2-(5,6-dihydro-1,4,2-dioxazin-3-yl)-2-{[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino}ethanethiol 
• 329015-86-3 (R)-2-(3-Methyl-[1,2,4]oxadiazol-5-yl)-2-[4-(4-nitro-phenyl)-thiazol-2-ylamino]-ethanethiol 
• 329015-75-0 N-[(1R)-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-2-(tritylsulfanyl)ethyl]-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amine 

Relevant articles and documents

Imidazolium-Based Ionic Network as a Robust Heterogeneous Catalyst in Synthesis of Phenacyl Derivatives

A new imidazolium-based poly(ionic liquid) has been synthesized and used as a robust heterogeneous catalyst for the preparation of phenacyl derivatives by an SN2 reaction of different phenacyl bromides with a broad range of nucleophiles. The products are obtained in high yields under mild conditions. The catalyst can be recycled efficiently.

Oxidant-free thiocyanation of phenols and carbonyl compounds under solvent-free conditions by AlCl 3/NH 4SCN

A simple, efficient, solvent-free, and mild method for thiocyanation of phenols by ammonium thiocyanate (NH4SCN) in the presence of AlCl3 has been developed. This new methodology was used to prepare para-thiocyanated products in good to excellent yields at 70°C. In addition, the successful α-thiocyanation of various ketones has also been described. Finally, a plausible mechanism of thiocyanation has been suggested.

Synthesis of ionic liquid-supported hypervalent iodine reagent and its application as a 'catch and release' reagent for α-substituted acetophenones

A novel imidazolium-based ionic liquid-supported hypervalent iodine reagent has been synthesized and employed for a 'catch and release' strategy with substituted acetophenones to generate various α-substituted acetophenones in good to excellent yields. The use of an ionic liquid-supported hypervalent iodine reagent avoids chromatographic separation for the purification of α-substituted acetophenones and thus makes the method greener.