5-FLUORO-1H-BENZOTRIAZOLE

Base Information

• Chemical Name: 5-FLUORO-1H-BENZOTRIAZOLE
• CAS No.: 18225-90-6
• Molecular Formula: C6H4FN3
• Molecular Weight: 137.116
• Hs Code.: 2933990090
• Mol file: 18225-90-6.mol

Synonyms:1H-Benzotriazole,5-fluoro- (8CI,9CI);Benzotriazole, 5-fluoro- (6CI);5-Fluoro-1H-benzo[d][1,2,3]triazole;

Chemical Property of 5-FLUORO-1H-BENZOTRIAZOLE

Chemical Property:

• Vapor Pressure: 0.00368mmHg at 25°C
• Refractive Index: 1.673
• Boiling Point: 280.881 °C at 760 mmHg
• PKA: 7.78±0.40(Predicted)
• Flash Point: 123.672 °C
• PSA: 41.57000
• Density: 1.482 g/cm³
• LogP: 1.09700

Purity/Quality:

97% ^*data from raw suppliers

5-Fluoro-1H-benzo[d][1,2,3]triazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-FLUORO-1H-BENZOTRIAZOLE

There total 7 articles about 5-FLUORO-1H-BENZOTRIAZOLE 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: 95.0%

4-fluoro-1,2-phenylenediamine (367-31-7) → 5-fluoro-1H-benzo[d][1,2,3]triazole (18225-90-6)

Guidance literature:

With tert.-butylnitrite; In acetonitrile; at 27 - 29 ℃; for 0.25h;

DOI:10.1039/c8ob01950a

Reference yield: 92.0%

1-azido-2-bromo-4-fluorobenzene (85862-81-3) → 5-fluoro-1H-benzo[d][1,2,3]triazole (18225-90-6)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane; at -85 - 20 ℃;

DOI:10.1039/c9ob00615j

Reference yield: 50.0%

4-fluoro-2-(trimethylsilyl)phenyl trifluoromethanesulfonate → 5-fluoro-1H-benzo[d][1,2,3]triazole (18225-90-6)

Guidance literature:

With sodium azide; 18-crown-6 ether; cesium fluoride; In acetonitrile; at 70 ℃; for 12h; Inert atmosphere;

DOI:10.1021/acs.joc.9b02198

upstream raw materials:

4-fluoro-1,2-phenylenediamine

1-azido-2-bromo-4-fluorobenzene

4-fluoroaniline

2-bromo-4-fluoroaniline

Downstream raw materials:

2-(2,4-difluorophenyl)-1-(6-fluoro-1H-benzo[d][1,2,3]-triazol-1-yl)-3-(1H-1,2,4-triazol-1-yl)propan-2-ol

2-(2,4-difluorophenyl)-1-(5-fluoro-1H-benzo[d][1,2,3]-triazol-1-yl)-3-(1H-1,2,4-triazol-1-yl)propan-2-ol

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