40888-26-4

Basic information

• Product Name: 2-ETHYNYL-BENZONITRILE
• Synonyms: 2-ETHYNYL-BENZONITRILE;Benzonitrile, 2-ethynyl- (9CI);2-Cyanophenylacetylene
• CAS NO: 40888-26-4
• Molecular Formula: C₉H₅N
• Molecular Weight: 127.1427
• Mol File: 40888-26-4.mol
• Article Data: 20

Chemical Properties

• Melting Point: 76 °C
• Boiling Point: 246.75°C at 760 mmHg
• Flash Point: 103.017°C
• Appearance: /
• Density: 1.081g/cm³
• Vapor Pressure: 0.027mmHg at 25°C
• Refractive Index: 1.566
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 2-ETHYNYL-BENZONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-ETHYNYL-BENZONITRILE(40888-26-4)
• EPA Substance Registry System: 2-ETHYNYL-BENZONITRILE(40888-26-4)

Safety Data

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26
• Hazardous Substances Data: 40888-26-4(Hazardous Substances Data)

Usage

General Description

2-Ethynyl-benzonitrile, also referred to as Benzonitrile, 2-ethynyl-, is a chemical compound that features benzene fused with a nitrile functional group. It is an organic compound, with the chemical formula of C9H5N. The compound is primarily utilized in research and development settings, including laboratory applications. It carries a molar mass of 128.141 g/mol. As with various other organic compounds, handling of 2-Ethynyl-benzonitrile should be done following recommended safety measures, as the compound can potentially be hazardous. Exact properties can vary, but the compound generally appears as a clear to light yellow liquid.

InChI:InChI=1/C9H5N/c1-2-8-5-3-4-6-9(8)7-10/h1,3-6H

Upstream product

• 607376-31-8 2-(2c-bromo-vinyl-(r))-benzonitrile 
• 2886-29-5 trans-3-(2-cyanophenyl)propenoic acid 
• 4387-36-4 2-iodobenzonitrile 
• 1066-54-2 trimethylsilylacetylene 
• 38846-64-9 2-ethynylbenzaldehyde 
• 74-86-2 acetylene 
• 994-89-8 tributylethynyltin 
• 55165-45-2 2-cyano-benzenediazonium tetrafluoroborate 
• 2042-37-7 o-cyanobromobenzene 
• 2074-87-5 carbon nitride 
• 536-74-3 phenylacetylene 
• 137648-47-6 1-iodo-2-ethynylbenzene 
• 615-42-9 1,2-Diiodobenzene 
• 67-56-1 methanol 

Downstream Products

• 196080-59-8 2-[(3-cyanophenyl)-ethynyl]benzonitrile 
• 253435-24-4 2-(2-(4-(methyl)phenyl)ethynyl)benzonitrile 
• 351862-56-1 2-(2-(4-methoxyphenyl)ethynyl)benzonitrile 
• 457914-37-3 2{2-[2-(hept-1-ynyl)phenyl]ethynyl}benzonitrile 
• 38379-21-4 (2-ethynylphenyl)methanamine 

Relevant articles and documents

-

-

Sulfuryl Fluoride Mediated Conversion of Aldehydes to Nitriles

Aliphatic, aromatic, and heteroaromatic aldehydes were readily converted to corresponding nitriles in a one-pot reaction sequence with hydroxylamine and sulfuryl fluoride. The reaction proceeds at room temperature, does not require metal catalysts and special precautions, and produces nitriles in excellent yields. It is compatible with a variety of functional groups, can be performed in aqueous and organic solvents, and is readily scalable to multigram quantities. Mild conditions and high selectivity of the reaction enabled the construction of polyfunctional probes containing nitrile, alkyne, azide, and fluorosulfate groups for further orthogonal derivatization.

Gold(i)-catalyzed cross-coupling reactions of aryldiazonium salts with organostannanes

Gold(i)-catalyzed cross-coupling reactions of aryldiazonium salts with organostannanes are described. This redox neutral strategy offers an efficient approach to diverse biaryls, vinyl arenes and arylacetylenes. Monitoring the reaction with NMR and ESI-MS provided strong evidence for the in situ formation of Ph3PAuIR (R = aryl, vinyl and alkynyl) species which is crucial for the activation of aryldiazonium salts.