4-(4-nitrophenyl)-4H-1,2,4-triazole

Base Information

Chemical Name:4-(4-nitrophenyl)-4H-1,2,4-triazole
CAS No.:16759-47-0
Molecular Formula:C7H5N5O2
Molecular Weight:190.161
Hs Code.:2933990090
Nikkaji Number:J3.292.171J
Mol file:16759-47-0.mol

Synonyms:4-(4-nitrophenyl)-4H-1,2,4-triazole;16759-47-0;4-(4-nitrophenyl)-1,2,4-triazole;SCHEMBL12841489;MFCD02685150;STL169383;AKOS003297978;LS-07552

Suppliers and Price of 4-(4-nitrophenyl)-4H-1,2,4-triazole

Supply Marketing:

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

Crysdot
4-(4-Nitrophenyl)-4H-1,2,4-triazole 97%
5g
$ 752.00

Total 1 raw suppliers

Chemical Property of 4-(4-nitrophenyl)-4H-1,2,4-triazole

Chemical Property:

Melting Point:318 °C
Boiling Point:393.4±44.0 °C(Predicted)
PKA:1.89±0.10(Predicted)
PSA：89.42000
Density:1.46±0.1 g/cm3(Predicted)
LogP:1.09370
XLogP3:0.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:190.04907545
Heavy Atom Count:14
Complexity:204

Purity/Quality:: 4-(4-Nitrophenyl)-4H-1,2,4-triazole 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1N2C=NN=C2)[N+](=O)[O-]

Technology Process of 4-(4-nitrophenyl)-4H-1,2,4-triazole

There total 9 articles about 4-(4-nitrophenyl)-4H-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: 85.0%

: 628-36-4
diformylhydrazine

: 100-01-6,104810-17-5
4-nitro-aniline

: 16759-47-0
4-(4-nitrophenyl)-4H-1,2,4-triazole

Guidance literature:: at 150 ℃; for 24h;

Reference yield: 43.0%

: 100-01-6,104810-17-5
4-nitro-aniline

: 624-84-0
formic acid hydrazide

: 16759-47-0
4-(4-nitrophenyl)-4H-1,2,4-triazole

Guidance literature:: With acetic acid; orthoformic acid triethyl ester; at 0 - 80 ℃; for 4.33333h;

Reference yield: 42.0%

: 100-01-6,104810-17-5
4-nitro-aniline

: 122-51-0
orthoformic acid triethyl ester

: 624-84-0
formic acid hydrazide

: 16759-47-0
4-(4-nitrophenyl)-4H-1,2,4-triazole

Guidance literature:: orthoformic acid triethyl ester; formic acid hydrazide; In ethanol; at 180 ℃; for 0.5h;

4-nitro-aniline; With sulfuric acid; at 180 ℃; for 0.5h;
DOI:10.1039/c1ce05275f