62455-56-5

Basic information

• Product Name: 2-(4-CHLOROBENZOYL)-3,3-DI(METHYLTHIO)ACRYLONITRILE
• Synonyms: 2-(4-CHLOROBENZOYL)-3,3-DI(METHYLTHIO)ACRYLONITRILE;3,3-BIS(METHYLTHIO)-2-(4-CHLOROBENZOYL)ACRYLONITRILE
• CAS NO: 62455-56-5
• Molecular Formula: C₁₂H₁₀ClNOS₂
• Molecular Weight: 283.8
• Mol File: 62455-56-5.mol
• Article Data: 2

Chemical Properties

• Melting Point: 80-81 °C(Solv: methanol (67-56-1))
• Boiling Point: 394°C at 760 mmHg
• Flash Point: 192.1°C
• Appearance: /
• Density: 1.329g/cm³
• Vapor Pressure: 2.04E-06mmHg at 25°C
• Refractive Index: 1.623
• CAS DataBase Reference: 2-(4-CHLOROBENZOYL)-3,3-DI(METHYLTHIO)ACRYLONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(4-CHLOROBENZOYL)-3,3-DI(METHYLTHIO)ACRYLONITRILE(62455-56-5)
• EPA Substance Registry System: 2-(4-CHLOROBENZOYL)-3,3-DI(METHYLTHIO)ACRYLONITRILE(62455-56-5)

Safety Data

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 62455-56-5(Hazardous Substances Data)

Usage

Description

2-(4-CHLOROBENZOYL)-3,3-DI(METHYLTHIO)ACRYLONITRILE is a chemical compound belonging to the acrylonitrile family, characterized by the presence of a benzoyl group, a thioether group, and a chloro substituent on the benzoyl group. These unique structural features and reactivity endow it with potential applications in organic synthesis, pharmaceuticals, and other industries.

Uses

Used in Organic Synthesis:
2-(4-CHLOROBENZOYL)-3,3-DI(METHYLTHIO)ACRYLONITRILE is used as a key intermediate in the synthesis of specialty chemicals due to its reactive acrylonitrile group and the presence of a chloro substituent, which can be further functionalized in various chemical reactions.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 2-(4-CHLOROBENZOYL)-3,3-DI(METHYLTHIO)ACRYLONITRILE is used as a building block for the development of new drugs, leveraging its unique structural features to create molecules with potential biological activities and medicinal properties.
Used in Polymer Production:
2-(4-CHLOROBENZOYL)-3,3-DI(METHYLTHIO)ACRYLONITRILE is used as a monomer in the production of polymers, where its specific chemical and physical properties can contribute to the development of materials with tailored characteristics for various applications.
Used in Agrochemicals:
In the agrochemical sector, 2-(4-CHLOROBENZOYL)-3,3-DI(METHYLTHIO)ACRYLONITRILE is used as a precursor for the synthesis of agrochemicals, such as pesticides and herbicides, due to its potential to form active ingredients with desired biological properties.

InChI:InChI=1/C12H10ClNOS2/c1-16-12(17-2)10(7-14)11(15)8-3-5-9(13)6-4-8/h3-6H,1-2H3

Upstream product

• 544-92-3 copper(I) cyanide 
• 98606-78-1 2-bromo-1-(4-chlorophenyl)-3,3-bis(methylthio)prop-2-en-1-one 
• 41467-26-9 1-(4-chlorophenyl)-3,3-bis(methylsulfanyl)-2-propen-1-one 
• 75-15-0 carbon disulfide 
• 4640-66-8 p-chlorobenzoylacetonitrile 
• 74-88-4 methyl iodide 

Downstream Products

• 96232-47-2 3-(4-Chloro-phenyl)-1-methyl-5-methylsulfanyl-1-oxo-1λ⁶-thiopyran-4-carbonitrile 
• 68364-89-6 5-(4-chloro-phenyl)-3-methylsulfanyl-isoxazole-4-carbonitrile 
• 63244-05-3 methyl 4-(4-chlorophenyl)-3-cyano-2-methylthio-5-thiophenecarboxylate 
• 118603-68-2 1-(4-Chlorobenzoyl)-1-cyano-2-methylthio-2-n-propylamino ethene 

Relevant articles and documents

Bromination of α-Aroylketene S,S-Acetals: Synthesis of Novel α-Aroyl-α-bromoketene S,S-Acetals and Their Further Synthetic Transformations

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