4-Propyl-4H-1,2,4-triazole

Base Information

Chemical Name:4-Propyl-4H-1,2,4-triazole
CAS No.:27104-95-6
Molecular Formula:C₅H₉N₃
Molecular Weight:111.147
Hs Code.:2933990090
DSSTox Substance ID:DTXSID90512369
Nikkaji Number:J1.257.258A
Wikidata:Q72503053
Mol file:27104-95-6.mol

Synonyms:4-Propyl-4H-1,2,4-triazole;27104-95-6;4-propyl-1,2,4-triazole;4H-1,2,4-Triazole,4-propyl-(8CI,9CI);SCHEMBL1535120;DTXSID90512369;AKOS015951444;EN300-366144

Suppliers and Price of 4-Propyl-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

Total 4 raw suppliers

Chemical Property of 4-Propyl-4H-1,2,4-triazole

Chemical Property:

PSA：30.71000
LogP:0.68810
XLogP3:0.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:111.079647300
Heavy Atom Count:8
Complexity:58.7

Purity/Quality:: 98%Min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCN1C=NN=C1

Technology Process of 4-Propyl-4H-1,2,4-triazole

There total 4 articles about 4-Propyl-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: 80.0%

: 288-88-0
1,2,4-Triazole

: 107-08-4
1-iodo-propane

: 27104-95-6
4-propyl-1,2,4-triazole

: 89417-77-6
n-propyl-1,2,4-triazole

Guidance literature:: With 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; at 0 - 20 ℃;
DOI:10.1016/S0040-4039(99)02272-8

Reference yield:

: 288-88-0
1,2,4-Triazole

: 623-96-1
Dipropyl carbonate

: 27104-95-6
4-propyl-1,2,4-triazole

Guidance literature:: With calcium carbonate; at 190 ℃; for 19h; Inert atmosphere;

Reference yield:

: 107-10-8,42939-71-9
propylamine

: 122-51-0
orthoformic acid triethyl ester

: 624-84-0
formic acid hydrazide

: 27104-95-6
4-propyl-1,2,4-triazole

Guidance literature:: orthoformic acid triethyl ester; formic acid hydrazide; In methanol; Heating;

propylamine; In methanol; Further stages.; Heating;
DOI:10.1039/b007094g