351002-90-9

Basic information

• Product Name: 4-ETHYNYLPHENYLACETONITRILE 97
• Synonyms: 4-ETHYNYLPHENYLACETONITRILE 97;4-Ethynylbenzeneacetonitrile
• CAS NO: 351002-90-9
• Molecular Formula: C10H7N
• Molecular Weight: 141.16928
• Mol File: 351002-90-9.mol

Chemical Properties

• Boiling Point: 259℃
• Flash Point: >230 °F
• Appearance: /Liquid
• Density: 1.037 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.5630(lit.)
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• Water Solubility: Slightly soluble in water.
• CAS DataBase Reference: 4-ETHYNYLPHENYLACETONITRILE 97(CAS DataBase Reference)
• NIST Chemistry Reference: 4-ETHYNYLPHENYLACETONITRILE 97(351002-90-9)
• EPA Substance Registry System: 4-ETHYNYLPHENYLACETONITRILE 97(351002-90-9)

Safety Data

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• HazardClass: 6.1
• Hazardous Substances Data: 351002-90-9(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
4-Ethynylphenylacetonitrile 97 is employed as a key intermediate in the synthesis of pharmaceuticals, contributing to the development of new drugs and therapeutic agents. Its unique structure allows for the creation of molecules with specific biological activities, making it a valuable asset in medicinal chemistry.
Used in Agrochemical Industry:
In the agrochemical sector, 4-Ethynylphenylacetonitrile 97 is used as a precursor for the synthesis of various agrochemicals, including pesticides and herbicides. Its role in the development of these compounds aids in enhancing crop protection and agricultural productivity.
Used in Research and Development Labs:
4-Ethynylphenylacetonitrile 97 is utilized as a reagent in research and development labs for the synthesis of a broad spectrum of chemical compounds. Its high purity of 97% ensures the reliability and accuracy of experimental outcomes, facilitating scientific discovery and innovation in the field of organic chemistry.

Upstream product

• 16532-79-9 4-Bromophenylacetonitrile 

Downstream Products

• 1382479-49-3 C₁₆H₈Br₂N₂ 
• 1630828-63-5 (Z)-2-(4-ethynylphenyl)-3-(1H-pyrrol-2-yl)acrylonitrile 

Relevant articles and documents

Functional phenylethynylene side arm poly(arylene ethynylene) conjugated polymers: Optical and electrochemical behavior for enrichment of electronic applications

The poly(arylene ethynylene) (PAE) conjugated polymers (CPs) with a donor-acceptor (D-A) side arm have been designed and synthesized using Sonogashira cross coupling in the presence of cyano methylene, or cyano thiophene gave diethynyl (A) and alkoxy and alkyl substituted diiodo aryl monomers (D). An interesting electronic response in optical measurements such as UV-visible (UV-vis) and fluorescence (FL) spectra was observed in tetrahydrofuran solvent. From the FL spectra, it was observed that the CP solutions possess an interesting long bathochromic shift when compared with the UV-vis spectra, because of the electron withdrawing, electron releasing and conjugation effects. The electrochemical and thin film UV-vis spectral measurements provided highest occupied molecular orbital-lowest unoccupied molecular orbital (HOMO-LUMO) electronic energy levels and their corresponding semiconducting electronic energy gaps (Eg) of the PAE CPs. Among the side arm CPs, polymers P1 and P5 have low Eg of 2.14 eV and 2.17 eV. The new PAE CPs are reliable for use in electronic and photonics applications.

Cleavage of the Carbon–Carbon Triple Bonds of Arylacetylenes for the Synthesis of Arylnitriles without a Metal Catalyst

Cleavage of the carbon–carbon triple bonds of alkynes was achieved, which led to the synthesis of arylnitriles under transition-metal-free conditions. A vast range of terminal alkyne substrates underwent this reaction to provide the corresponding nitriles in moderate to good yields with good functional group tolerance.