6086-22-2

Basic information

• Product Name: 1-Butyl-1H-1,2,4-triazole
• Synonyms: 1-Butyl-1H-1,2,4-triazole
• CAS NO: 6086-22-2
• Molecular Formula: C₆H₁₁N₃
• Molecular Weight: 125.17
• Mol File: 6086-22-2.mol

Chemical Properties

• Boiling Point: 222.65°C (rough estimate)
• Flash Point: 87.4°C
• Appearance: /
• Density: 1.0690 (rough estimate)
• Vapor Pressure: 0.11mmHg at 25°C
• Refractive Index: 1.5190 (estimate)
• CAS DataBase Reference: 1-Butyl-1H-1,2,4-triazole(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Butyl-1H-1,2,4-triazole(6086-22-2)
• EPA Substance Registry System: 1-Butyl-1H-1,2,4-triazole(6086-22-2)

Safety Data

• Hazardous Substances Data: 6086-22-2(Hazardous Substances Data)

Usage

Triazole derivative

A compound based on the 1,2,4-triazole ring structure This indicates that 1-Butyl-1H-1,2,4-triazole is derived from the 1,2,4-triazole ring, which is a five-membered heterocyclic ring with three nitrogen atoms and two carbon atoms.

Corrosion inhibition potential

Studied for its ability to prevent or slow down corrosion This highlights the compound's potential use in protecting materials from corrosion, which can be valuable in various industries.

Pharmaceutical synthesis intermediate

Used as an intermediate in the synthesis of pharmaceuticals This indicates that 1-Butyl-1H-1,2,4-triazole can be a key component in the production of various drugs, expanding its potential applications in the pharmaceutical industry.

Antifungal and antibacterial properties

Demonstrated the ability to inhibit the growth of fungi and bacteria This suggests that the compound could be used as an antimicrobial agent, potentially leading to the development of new treatments for infections.

Coordination chemistry ligand potential

Being investigated for use as a ligand in coordination chemistry This means that 1-Butyl-1H-1,2,4-triazole could be used to form complex compounds with metal ions, which can have various applications in fields such as catalysis and materials science.

Electrolyte additive in lithium-ion batteries

Potential use as an additive in lithium-ion batteries to improve performance This suggests that the compound could enhance the performance of lithium-ion batteries, which are widely used in electronic devices and electric vehicles.

Wide range of potential applications

Applicable in various fields of science and industry This summarizes the versatility of 1-Butyl-1H-1,2,4-triazole, as it has potential uses in corrosion inhibition, pharmaceutical synthesis, antimicrobial agents, coordination chemistry, and lithium-ion batteries.

InChI:InChI=1/C6H11N3/c1-2-3-4-9-6-7-5-8-9/h5-6H,2-4H2,1H3

Upstream product

• 288-88-0 1,2,4-Triazole 
• 109-65-9 1-bromo-butane 

Downstream Products

• 1428335-13-0 1-butyl-4-methyl-1,2,4-triazol-4-ium tosylate 

Relevant articles and documents

An investigation into the alkylation of 1,2,4-triazole

The alkylation of 1,2,4-triazole with 4-nitrobenzyl halides and a variety of bases afforded the 1- and 4-alkylated isomers with a consistent regioselectivity of 90:10. Previously reported regiospecific alkylations of 1,2,4-triazole were re-examined and the quoted isomer ratios were shown to depend on the isolation procedure. The use of DBU as base in the alkylation of 1,2,4-triazole allows for a convenient and high yielding synthesis of 1- substituted-1,2,4-triazoles. (C) 2000 Elsevier Science Ltd.

SELECTIVE ALKYLATIONS OF 1,2,4-TRIAZOLE AND BENZOTRIAZOLE IN THE ABSENCE OF SOLVENT

Alkylation of 1,2,4-triazole and benzotriazole has been performed either in basic media under solvent free phase transfer catalysis conditions or in the absence of base by conventional and microwave heating.Several parameters affecting the selectivity have been studied.In the case of triazole alkylation, microwave irradiation produces specific (non thermal) effects both on reactivity and selectivity.