1,2,4-Triazole

Base Information Edit

Chemical Name:1,2,4-Triazole
CAS No.:288-88-0
Deprecated CAS:116421-29-5,25167-73-1,27236-77-7,288-89-1,1001118-18-8,1001118-18-8,25167-73-1,27236-77-7,288-89-1
Molecular Formula:C2H3N3
Molecular Weight:69.0659
Hs Code.:2933.99
European Community (EC) Number:206-022-9
ICSC Number:0682
NSC Number:83128
UNII:10MS0Y1RDI
DSSTox Substance ID:DTXSID6027131
Nikkaji Number:J5.455K
Wikipedia:1,2,4-Triazole
Wikidata:Q161300
Metabolomics Workbench ID:52431
ChEMBL ID:CHEMBL15571
Mol file:288-88-0.mol

Synonyms:1,2,4-triazole;1,2,4-triazole, potassium salt

Suppliers and Price of 1,2,4-Triazole

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
1,2,4-Triazole
50g
$ 496.00

Usbiological
1,2,4-Triazole
50g
$ 315.00

TRC
1,2,4-Triazole
25g
$ 80.00

TRC
1,2,4-Triazole
5g
$ 50.00

TCI Chemical
1,2,4-Triazole >99.0%(GC)
500g
$ 261.00

TCI Chemical
1,2,4-Triazole >99.0%(GC)
100g
$ 94.00

TCI Chemical
1,2,4-Triazole >99.0%(GC)
25g
$ 32.00

SynQuest Laboratories
1H-1,2,4-Triazole 97%
5 g
$ 25.00

SynQuest Laboratories
1H-1,2,4-Triazole 97%
25 g
$ 30.00

SynQuest Laboratories
1H-1,2,4-Triazole 97%
500 g
$ 295.00

Total 266 raw suppliers

Chemical Property of 1,2,4-Triazole Edit

Chemical Property:

Appearance/Colour:white crystalline powder and flakes
Vapor Pressure:0.0203mmHg at 25°C
Melting Point:115-117 °C
Refractive Index:1.534
Boiling Point:260 °C at 760 mmHg
PKA:2.27(at 20℃)
Flash Point:139.1 °C
PSA：41.57000
Density:1.274 g/cm³
LogP:-0.19530
Storage Temp.:Store at 0-5°C
Solubility.:547g/l
Water Solubility.:1250 g/L (20 ºC)
XLogP3:-0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:69.032697108
Heavy Atom Count:5
Complexity:28.1

Purity/Quality:

98%, ^*data from raw suppliers

1,2,4-Triazole ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn,Xi,C
Hazard Codes:Xn,Xi,C
Statements: 22-36-63-34
Safety Statements: 36/37-45-36/37/39-27-26

MSDS Files:: SDS file from LookChem

Useful:

Chemical Classes:Nitrogen Compounds -> Triazoles
Canonical SMILES:C1=NC=NN1
Inhalation Risk:A harmful concentration of airborne particles can be reached quickly when dispersed.
Effects of Short Term Exposure:The substance is irritating to the eyes.
Effects of Long Term Exposure:Animal tests show that this substance possibly causes toxicity to human reproduction or development.
Chemical Composition and Structure 1,2,4-Triazole is an organic compound characterized by its five-membered ring structure containing three nitrogen atoms at positions 1, 2, and 4. It is an important pharmacophore in various bioactive compounds due to its stability and ability to interact with receptors as hydrogen bond acceptors and donors.
Uses The chemistry of 1,2,4-Triazole and its derivatives has been of significant interest since the late 19th century. 1,2,4-Triazole derivatives exhibit diverse biological activities, including anticancer, antibacterial, antifungal, antitubercular, antioxidant, anti-inflammatory, antiviral, and anticonvulsant properties. They are used in the development of various drugs, including anti-cancer agents, antimicrobial drugs, and COX-2 inhibitors. Apart from medicinal uses, 1,2,4-Triazole derivatives are utilized in pesticides, functional materials, corrosion inhibitors, dyes, and acid-base indicators.
Mechanism of Action The mechanism of action varies depending on the specific derivative and its intended application. However, 1,2,4-Triazole compounds often exert their biological activities by interacting with specific molecular targets, such as enzymes or receptors, thereby modulating their function.
Production Methods The synthesis of 1,2,4-Triazole and its derivatives involves various methods, including the formamide method and cyclization reactions. Transition metal-catalyzed methods are also employed for efficient and direct synthesis.
Analysis Method Analytical techniques such as mass spectrometry are commonly used to characterize and identify 1,2,4-Triazole derivatives, including determination of their molecular ion peaks and fragmentation patterns.

Technology Process of 1,2,4-Triazole

There total 126 articles about 1,2,4-Triazole which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 94.0%