81606-79-3

Usage

Uses

Used in Organic Synthesis:
2-(1H-1,2,4-TRIAZOL-1-YL)ACETONITRILE is used as a building block for the synthesis of various organic compounds due to its reactivity and the ability to form new molecules with potential applications in different industries.
Used in Pharmaceutical Research:
In the pharmaceutical industry, 2-(1H-1,2,4-TRIAZOL-1-YL)ACETONITRILE is utilized as a key component in the development of new drugs, leveraging its chemical properties to create molecules with therapeutic potential.
Used in Agriculture:
2-(1H-1,2,4-TRIAZOL-1-YL)ACETONITRILE is used as a potential pesticide or herbicide in the agriculture industry, where its chemical properties may contribute to controlling pests and unwanted plant growth, thus enhancing crop protection and yield.

InChI:InChI=1/C4H4N4/c5-1-2-8-4-6-3-7-8/h3-4H,2H2

Upstream product

• 288-88-0 1,2,4-Triazole 
• 590-17-0 cyanomethyl bromide 
• 107-14-2 chloroacetonitrile 
• 41253-21-8 sodium triazole 

Downstream Products

• 439287-87-3 (1Z)-N'-hydroxy-2-[(methylsulfonyl)amino]ethanimidamide 
• 1627595-69-0 C₄H₇N₅O 
• 438631-29-9 N-hydroxy-2-[1,2,4]triazol-1-yl-acetamidine 

Relevant academic research and scientific papers

Azolium salts functionalized with cyanomethyl, vinyl, or propargyl substituents and dicyanamide, dinitramide, perchlorate and nitrate anions

A series of functionalized imidazolium and 1,2,4-triazolium salts with cyanomethyl, vinyl and propargyl substituents coupled with energetic anions, viz., perchlorate, nitrate, dicyanamide and dinitramide were prepared and characterized by NMR and IR spectroscopy, and elemental analyses. Since some melt -3. The standard enthalpies of formation of the salts were calculated by using the computationally feasible DFT(B3LYP) and MP2 methods in conjunction with an empirical approach based on calculated densities of the salts. These values range from ΔH°f = -56 (12a) to 851 (21c) kJ mol-1. Of the salts synthesized, the dicyanamides exhibit the highest positive heats of formation, but also the lowest densities. Wiley-VCH Verlag GmbH & Co. KGaA, 2007.

Solvent-free synthesis and structural characterization of azolyl-substituted pyrimidines

Base-catalyzed trimerization of N-cyanomethylazoles under pressure and in solvent-free conditions afforded 4-amino-2,6-bis(azol-1-ylmethyl)-5-(azol-1-yl)pyrimidines (1-3) in 33-67% yields. The structures of these compounds was determined by a combination of NMR techniques and X-ray crystallography. The 4-amino groups show a restricted rotation around the C-N bond; the free energy of activation for this process was determined by variable temperature experiments. In the crystal structure of the pyrazol-1-yl derivative, the amino group shows a distorted planar geometry in both independent molecules and acts as a double hydrogen bond donor towards two of the three pyrazole rings, forming ribbons of R22(10) rings.

1,2,3-Benzothiadiazole derivatives

Novel 1,2,3-benzothiadiazole derivatives of the formula STR1 in which Het has the meanings set forth in the specification, and addition products thereof with an acid or metal salt are very effective for the control of undesired microorganisms. Novel intermediates of the formulae STR2 in which Het1 and R5 have the meanings given in the specification.