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5-(Trifluoromethyl)-1H-1,2,3-triazole

CAS No.
40964-54-3
Chemical Name:
5-(Trifluoromethyl)-1H-1,2,3-triazole
Synonyms
5-trifluoromethyl-1,2,3-triazole;4-(trifluoromethyl)-1H-1,2,3-triazole;5-(Trifluoromethyl)-1H-1,2,3-triazole;1H-1,2,3-Triazole, 5-(trifluoromethyl)-;1H-1,2,3-Triazole, 4-(trifluoromethyl)-
CBNumber:
CB34674428
Molecular Formula:
C3H2F3N3
Molecular Weight:
137.06
MDL Number:
MOL File:
40964-54-3.mol
Last updated:2023-10-25 16:01:12

5-(Trifluoromethyl)-1H-1,2,3-triazole Properties

Melting point 83 °C
Boiling point 183.1±35.0 °C(Predicted)
Density 1.79 g/cm3
pka 6.43±0.70(Predicted)

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictograms
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338

5-(Trifluoromethyl)-1H-1,2,3-triazole price

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
AK Scientific 4042DA 5-(Trifluoromethyl)-1H-1,2,3-triazole 40964-54-3 25mg $586 2021-12-16 Buy
AK Scientific 4042DA 5-(Trifluoromethyl)-1H-1,2,3-triazole 40964-54-3 250mg $1418 2021-12-16 Buy
Crysdot CD11127452 5-(Trifluoromethyl)-1H-1,2,3-triazole 95+% 40964-54-3 50mg $740 2021-12-16 Buy
Crysdot CD11127452 5-(Trifluoromethyl)-1H-1,2,3-triazole 95+% 40964-54-3 100mg $900 2021-12-16 Buy
Crysdot CD11127452 5-(Trifluoromethyl)-1H-1,2,3-triazole 95+% 40964-54-3 10mg $365 2021-12-16 Buy
Product number Packaging Price Buy
4042DA 25mg $586 Buy
4042DA 250mg $1418 Buy
CD11127452 50mg $740 Buy
CD11127452 100mg $900 Buy
CD11127452 10mg $365 Buy

5-(Trifluoromethyl)-1H-1,2,3-triazole Chemical Properties,Uses,Production

Definition

5-(Trifluoromethyl)-1H-1,2,3-triazole is a fluorinated triazole derivative. Triazoles are an important class of organic compounds, playing an important role in modern medicinal chemistry. Compounds with 1,2,3- and 1,2,4-triazole moieties are known to possess fungicidal, antimicrobial, anticonvulsant, antidepressant, antibacterial, anti-inflammatory, analgesic and antitumor activities[1].

Synthesis

A mixture of 1H-1,2,3-Triazole-4-carboxylic Acid (39.0 g, 345 mmol), anhyd HF (50 mL) and SF4 (46.5 g, 430 mmol) in a 500-mL autoclave was heated at 120 °C (oil bath temperature) for 16 h. The reaction mixture was cooled to 0 °C and the autoclave was then opened. The residue was put on a Teflon plate; after the residual HF had been removed by heating at 30 °C for 1–2 h (CAUTION! This procedure must be carried out in a fume hood!), the product was dissolved in CH2Cl2 (300 mL) to remove all insoluble materials. The solution was evaporated under vacuum and the thus-formed tarry residue was purified by double sublimation (20 mmHg, ~80–90 °C) to give 5-(Trifluoromethyl)-1H-1,2,3-triazole (30.3 g, 221 mmol, 64%) as a white solid[1].
1H-1,2,3-Triazole, 4-(trifluoromethyl)-

References

[1] Mykhailiuk P, et al. Novel Synthetic Approaches to (Trifluoromethyl)triazoles. Synthesis, 2010; 7: 1075-1077.

5-(Trifluoromethyl)-1H-1,2,3-triazole Preparation Products And Raw materials

Raw materials

Preparation Products

5-(Trifluoromethyl)-1H-1,2,3-triazole Suppliers

Global( 14)Suppliers
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4-(trifluoromethyl)-1H-1,2,3-triazole 1H-1,2,3-Triazole, 4-(trifluoromethyl)- 5-trifluoromethyl-1,2,3-triazole 1H-1,2,3-Triazole, 5-(trifluoromethyl)- 5-(Trifluoromethyl)-1H-1,2,3-triazole 40964-54-3