3,5-bis(trifluoromethyl)-1H-1,2,4-triazole

Base Information

Chemical Name:3,5-bis(trifluoromethyl)-1H-1,2,4-triazole
CAS No.:709-62-6
Molecular Formula:C₄HF₆N₃
Molecular Weight:205.062
Hs Code.:2933990090
DSSTox Substance ID:DTXSID70563016
Nikkaji Number:J581.137F
Wikidata:Q82447356
Mol file:709-62-6.mol

Synonyms:3,5-bis(trifluoromethyl)-1H-1,2,4-triazole;709-62-6;3,5-bis(trifluoromethyl)-4H-1,2,4-triazole;1H-1,2,4-TRIAZOLE,3,5-BIS(TRIFLUOROMETHYL)-;SCHEMBL1187565;DTXSID70563016;MFCD11042556;G68906

Suppliers and Price of 3,5-bis(trifluoromethyl)-1H-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

TRC
3,5-Bis(trifluoromethyl)-1H-1,2,4-triazole
100mg
$ 170.00

American Custom Chemicals Corporation
3,5-BIS-(TRIFLUOROMETHYL)-1H-1,2,4-TRIAZOLE 95.00%
5MG
$ 497.46

Total 7 raw suppliers

Chemical Property of 3,5-bis(trifluoromethyl)-1H-1,2,4-triazole

Chemical Property:

PSA：41.57000
LogP:1.84230
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:0
Exact Mass:205.00746602
Heavy Atom Count:13
Complexity:185

Purity/Quality:

98%+ ^*data from raw suppliers

3,5-Bis(trifluoromethyl)-1H-1,2,4-triazole ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1(=NC(=NN1)C(F)(F)F)C(F)(F)F

Technology Process of 3,5-bis(trifluoromethyl)-1H-1,2,4-triazole

There total 1 articles about 3,5-bis(trifluoromethyl)-1H-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: 31.0%

: (ZZ)-2-amino-1,1,1,6,6,6-hexafluoro-5-methylamino-3,4-diazahexa-2,4-diene

: 711-37-5
3,5-bis(trifluoromethyl)-4-methyl-4H-1,2,4-triazole

: 709-62-6,154445-76-8
3,5-bis(trifluoromethyl)-1H-1,2,4-triazole

: methylammonium 3,5-bis(trifluoromethyl)-1,2,4-triazolide

: 74-89-5
methylamine

Guidance literature:: at 120 ℃; for 48h;
DOI:10.1016/0022-1139(94)03199-A

Reference yield:

: 345-22-2
1-fluoro-2,4-dimethyl-5-nitro-benzene

: 709-62-6,154445-76-8
3,5-bis(trifluoromethyl)-1H-1,2,4-triazole

: 1207089-57-3
1-(2-fluoro-5-methyl-4-nitrobenzyl)-3,5-bis(trifluoromethyl)-1H-1,2,4-triazole

: 1207089-56-2
1-(4-fluoro-5-methyl-2-nitrobenzyl)-3,5-bis(trifluoromethyl)-1H-1,2,4-triazole

Guidance literature:: 1-fluoro-2,4-dimethyl-5-nitro-benzene; With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In tetrachloromethane; for 6h; Reflux; lighting;

3,5-bis(trifluoromethyl)-1H-1,2,4-triazole; With potassium carbonate; In N,N-dimethyl-formamide; at 60 ℃; for 1h;