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

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

Downstream Products

• 82000-31-5 2-p-Nitrobenzoyl-5H-thiadiazolo<2,3-b>quinazoline-5-one 
• 2104-08-7 4-(4-nitrophenyl)-2-oxo-thiazole 
• 941234-10-2 N-(4-hydroxyphenyl)-4-(4-nitrophenyl)-1,3-thiazole-2-amine 
• 1396320-18-5 (E)-3-amino-3-(4-methylpiperidin-1-yl)-2-[4-(4-nitrophenyl)thiazol-2-yl]acrylonitrile 
• 1396320-19-6 (E)-3-amino-3-dimethylamino-2-[4-(4-nitrophenyl)thiazol-2-yl]acrylonitrile 
• 1396320-23-2 (E)-3-amino-3-diethylamino-2-[4-(4-nitrophenyl)thiazol-2-yl]acrylonitrile 
• 1396320-08-3 (E)-3-amino-3-morpholin-4-yl-2-[4-(4-nitrophenyl)thiazol-2-yl]acrylonitrile 
• 1396320-13-0 (E)-3-amino-2-[4-(4-nitrophenyl)thiazol-2-yl]-3-piperidin-1-yl-acrylonitrile 
• 1292289-97-4 C₁₂H₆N₄O₂S 
• 25179-46-8 4-(4-nitrophenyl)-2-(p-tolyl)thiazole 
• 1007583-33-6 2-{[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino}-2-methylpropan-1-ol 

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.

A 2-thiocyano HYPNONE derivatives method for the preparation of

The invention discloses a method for preparing 2-sulfur cyano acetophenone derivatives. The method for preparing the 2-sulfur cyano acetophenone derivatives comprises the following steps: dissolving styrene derivatives and ammonium thiocyanate in a solvent, and reacting at 20-30 DEG C to obtain 2-sulfur cyano acetophenone derivatives. According to the method for preparing the 2-sulfur cyano acetophenone derivatives, the styrene derivatives are taken as starting materials; the raw materials are easily available and various in type; products prepared by the method have various in type, can be directly used and can also be used for other further reactions; meanwhile, the method is mild in reaction conditions and simple in reaction operation and post-processing process; an accelerant does not need to be added; the production process meets the green and chemical requirements, is relatively high in yield and is suitable for large-scale production.

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.