87412-96-2

Basic information

• Product Name: 1H-Pyrazole-4-carbonitrile,1,3-dimethyl-(9CI)
• Synonyms: 1H-Pyrazole-4-carbonitrile,1,3-dimethyl-(9CI);1H-Pyrazole-4-carbonitrile, 1,3-diMethyl-;1,3-dimethyl-4-pyrazolecarbonitrile;1,3-dimethylpyrazole-4-carbonitrile
• CAS NO: 87412-96-2
• Molecular Formula: C6H7N3
• Molecular Weight: 121.142
• Product Categories: NITRILE
• Mol File: 87412-96-2.mol

Chemical Properties

• Boiling Point: 239.838°C at 760 mmHg
• Flash Point: 98.851°C
• Appearance: /
• Density: 1.092g/cm³
• Vapor Pressure: 0.039mmHg at 25°C
• Refractive Index: 1.566
• Storage Temp.: 2-8°C
• PKA: -0.94±0.10(Predicted)
• CAS DataBase Reference: 1H-Pyrazole-4-carbonitrile,1,3-dimethyl-(9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Pyrazole-4-carbonitrile,1,3-dimethyl-(9CI)(87412-96-2)
• EPA Substance Registry System: 1H-Pyrazole-4-carbonitrile,1,3-dimethyl-(9CI)(87412-96-2)

Safety Data

• Hazardous Substances Data: 87412-96-2(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
1H-Pyrazole-4-carbonitrile,1,3-dimethyl-(9CI) is used as a key intermediate in the synthesis of various pharmaceutical compounds. Its unique structure and properties make it a promising candidate for the development of new drugs and therapeutic agents.
Used in Agrochemical Industry:
In the agrochemical industry, 1H-Pyrazole-4-carbonitrile,1,3-dimethyl-(9CI) serves as a building block for the synthesis of agrochemicals, such as pesticides and herbicides. Its potential biological activities contribute to the development of effective and environmentally friendly solutions for crop protection.
Used in Materials Science:
1H-Pyrazole-4-carbonitrile,1,3-dimethyl-(9CI) is utilized in materials science for the development of novel materials with specific properties. Its unique structure and potential for chemical modification make it a valuable component in the synthesis of advanced materials for various applications, such as sensors, catalysts, and functional polymers.

InChI:InChI=1/C6H7N3/c1-5-6(3-7)4-9(2)8-5/h4H,1-2H3

Upstream product

• 1118-61-2 3-Aminocrotononitrile 
• 60-34-4 methylhydrazine 
• 109-94-4 formic acid ethyl ester 
• 123-06-8 Ethoxymethylenemalononitrile 
• 278602-14-5 2-ethoxymethylene-3-oxobutanenitrile 

Relevant articles and documents

NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family

Erythropoietin-producing hepatocellular (EPH) receptors are transmembrane receptor tyrosine kinases. Their extracellular domains bind specifically to ephrin A/B ligands, and this binding modulates intracellular kinase activity. EPHs are key players in bid

A one-pot process for the regioselective synthesis of 1,3,4-trisubstituted-1H-pyrazoles

This Letter reports a facile and regioselective one-pot synthesis of 1,3,4-trisubstituted-1H-pyrazoles. It comprises a three-step telescoped sequence, which has been utilised in the production of a variety of differentially substituted pyrazoles.

Utilization of 2-ethoxymethylene-3-oxobutanenitrile in the synthesis of heterocycles possessing biological activity

2-Ethoxymethylene-3-oxobutanenitrile is a versatile trifunctional reagent that allows the introduction of a three-carbon moiety to amine-substrates. The reaction of the title compound with hydrazines has been studied leading to appropriate substituted pyrazoles 4-11. Reactions with other dinitrogen nucleophiles were studied giving access to a set of fused pyrimidines 13. All types of compounds displayed biological activity against bacteria, filamentous fungi and tumour HeLa cells, but not for yeasts. Pyrazole 10 and pyrimidine 13d have been found to possess the broadest activity.