2-(4-Nitrophenyl)tetrazole

Base Information

• Chemical Name: 2-(4-Nitrophenyl)tetrazole
• CAS No.: 52708-38-0
• Molecular Formula: C7H5N5O2
• Molecular Weight: 191.149
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID101305226
• Nikkaji Number: J127.267E
• Mol file: 52708-38-0.mol

Synonyms:2-(4-nitrophenyl)tetrazole;2-(4-nitrophenyl)-2H-tetrazole;52708-38-0;2H-Tetrazole, 2-(4-nitrophenyl)-;4-(Tetrazol-2-yl)nitrobenzene;SCHEMBL1186577;DTXSID101305226;2-(4-Nitro-phenyl)-2H-tetrazole;2-(4-Nitro-phenyl)-2H -tetrazole;2-(4-Nitrophenyl)-2H-tetraazole #;4-(2H-tetrazol-2-yl)-1-nitrobenzene

Chemical Property of 2-(4-Nitrophenyl)tetrazole

Chemical Property:

• PSA: 0.00000
• LogP: 2.56060
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 191.04432442
• Heavy Atom Count: 14
• Complexity: 211

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1N2N=CN=N2)[N+](=O)[O-]

Technology Process of 2-(4-Nitrophenyl)tetrazole

There total 7 articles about 2-(4-Nitrophenyl)tetrazole 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: 47.5%

1H-tetrazole (288-94-8) + 4-Fluoronitrobenzene (350-46-9,178603-76-4) → 2-(4-nitro-phenyl)-2H-tetrazole (52708-38-0) + 1-(4-nitrophenyl)-1H-tetrazole (14213-11-7)

Guidance literature:

With potassium carbonate; In acetonitrile; at 20 - 110 ℃; for 16h; Sealed tube;

Reference yield:

C10H13N5O2Si → 2-(4-nitro-phenyl)-2H-tetrazole (52708-38-0)

Guidance literature:

With cesium fluoride; In tetrahydrofuran; methanol; at 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.1016/j.tetlet.2016.02.102

Reference yield:

1H-tetrazole (288-94-8) + 4-Fluoronitrobenzene (350-46-9,178603-76-4) → 2-(4-nitro-phenyl)-2H-tetrazole (52708-38-0)

Guidance literature:

With potassium carbonate; In acetonitrile; at 110 ℃;

upstream raw materials:

2-phenyl-2H-tetrazole

1H-tetrazole

4-Fluoronitrobenzene

4-nitro-aniline

Downstream raw materials:

2-(4-aminophenyl)-2H-tetrazole

4-(2H-tetrazol-2-yl)phenol