6844-58-2

Basic information

• Product Name: 1H-Pyrazole-4-carbonitrile, 3,5-diamino-
• Synonyms: 3,5-diamino-1H-pyrazole-4-carbonitrile;1H-Pyrazole-4-carbonitrile, 3,5-diamino-
• CAS NO: 6844-58-2
• Molecular Formula: C₄H₅N₅
• Molecular Weight: 123.12
• Mol File: 6844-58-2.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 624.47 ºC at 760 mmHg
• Flash Point: 331.468 ºC
• Appearance: /
• Density: 1.553
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.689
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• CAS DataBase Reference: 1H-Pyrazole-4-carbonitrile, 3,5-diamino-(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Pyrazole-4-carbonitrile, 3,5-diamino-(6844-58-2)
• EPA Substance Registry System: 1H-Pyrazole-4-carbonitrile, 3,5-diamino-(6844-58-2)

Safety Data

• Hazardous Substances Data: 6844-58-2(Hazardous Substances Data)

Usage

General Description

1H-Pyrazole-4-carbonitrile, 3,5-diamino-, also known as 3,5-diaminopyrazole-4-carbonitrile, is a chemical compound with the molecular formula C4H4N6. It is a pyrazole derivative that contains two amino groups and a carbonitrile functional group. 1H-Pyrazole-4-carbonitrile, 3,5-diamino- is used in organic synthesis as a building block for the preparation of various pharmaceuticals, agrochemicals, and dyes. It has also shown potential as a corrosion inhibitor and has been studied for its antimicrobial and antitumor properties. 1H-Pyrazole-4-carbonitrile, 3,5-diamino- is a versatile compound with a wide range of potential applications in the chemical and pharmaceutical industries.

InChI:InChI=1/C4H5N5/c5-1-2-3(6)8-9-4(2)7/h(H5,6,7,8,9)

Upstream product

• 6825-53-2 (ethoxy-amino-methylene)-malononitrile 
• 18071-20-0 2-amino-1,1-dicyano-2-methylthioethylene 
• 7732-18-5 water 
• 302-01-2 hydrazine 
• 3889-68-7 5-amino-3-chloroisothiazole-4-carbonitrile 
• 3866-31-7 3-chloro-5-hydrazinylisothiazole-4-carbonitrile 

Downstream Products

• 121361-34-0 2,7-diamino-5-(4-chlorophenyl)-4,5-dihydro-pyrazolo<1,5-a>pyrimidine-3,6-dicarbonitrile 
• 121361-35-1 2,7-diamino-5-(2,6-dichlorophenyl)-4,5-dihydro-pyrazolo<1,5-a>pyrimidine-3,6-dicarbonitrile 
• 121361-20-4 4,7-diamino-2-methylmercapto-pyrazolo<1,5-a>1,3,5-triazine-8-carbonitrile 
• 65889-61-4 3,5-diamino-1-methyl-1H-pyrazolo-4-carbonitrile 
• 1201090-75-6 (2R,4aR,6S,12bS)-9-amino-4a,12b-dihydro-6-methoxy-2-phenyl-4H,6H-[1,3]dioxino[4'5':5,6]pyrano[3,4-d]pyrazolo[1,5-a]pyrimidine-8-carbonitrile 

Relevant articles and documents

The conversion of isothiazoles into pyrazoles using hydrazine

The conversion of isothiazoles into pyrazoles on treatment with hydrazine is investigated. The influence of various C-3, C-4 and C-5 isothiazole substituents and some limitations of this ring transformation are examined. When the isothiazole C-3 substituent is a good nucleofuge, 3-aminopyrazoles are obtained. However, when the 3-substituent is not a leaving group it is retained in the pyrazole product. Treatment of 4-bromo-3-chloro-5-phenylisothiazole 56 or 3-chloro-4,5-diphenylisothiazole 57 with anhydrous hydrazine at ca. 200 °C for a few minutes gives the corresponding 3-hydrazinoisothiazoles 61 and 64 respectively in high yields; the stability of these new hydrazines is investigated. 5,5′-Diphenyl-3,3′-biisothiazole-4,4′-dicarbonitrile 78 reacts with hydrazine to give 5,5′-diphenyl-3,3′-bi(1H-pyrazole)-4,4′-dicarbonitrile 79. Methylhydrazine reacts with 3-chloro-5-phenylisothiazole-4-carbonitrile 1 to give 3-(1-methylhydrazino)-5-phenylisothiazole-4-carbonitrile 83 and 3-amino-1-methyl-5-phenylpyrazole-4-carbonitrile 84. All products are fully characterised and rational mechanisms for the isothiazole into pyrazole transformation are proposed.

Substituted pyrazolopyrimidine compounds

There are provided, as novel herbicides, the substituted pyrazolopyrimidines of the formula: STR1 where A represents -CO-NR6 - or -C(OR7)=N-, and R1, R2, R3, R4, R6 and R7 are substituent groups as defined in the specification, and the salts and acid addition salts thereof. Processes for their preparation are provided, as also are herbicidal compositions containing them and methods of combating weeds in which they are used.