2-(1H-1,2,4-triazol-1-yl)-1-(4-trifluoromethylphenyl)ethanone

Base Information

Chemical Name:2-(1H-1,2,4-triazol-1-yl)-1-(4-trifluoromethylphenyl)ethanone
CAS No.:95727-88-1
Molecular Formula:C11H8F3N3O
Molecular Weight:255.199
Hs Code.:
DSSTox Substance ID:DTXSID901174952
Nikkaji Number:J1.327.249B
Mol file:95727-88-1.mol

Synonyms:2-(1H-1,2,4-triazol-1-yl)-1-(4-trifluoromethylphenyl)ethanone;95727-88-1;SCHEMBL9864864;FBQWCRRGUJWBJU-UHFFFAOYSA-N;DTXSID901174952;2-(1H-1,2,4-Triazol-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanone;alpha-(1H-1,2,4-Triazole-1-yl)-4'-(trifluoromethyl)acetophenone

Suppliers and Price of 2-(1H-1,2,4-triazol-1-yl)-1-(4-trifluoromethylphenyl)ethanone

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Total 1 raw suppliers

Chemical Property of 2-(1H-1,2,4-triazol-1-yl)-1-(4-trifluoromethylphenyl)ethanone

Chemical Property:

XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:255.06194637
Heavy Atom Count:18
Complexity:300

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=CC=C1C(=O)CN2C=NC=N2)C(F)(F)F

Technology Process of 2-(1H-1,2,4-triazol-1-yl)-1-(4-trifluoromethylphenyl)ethanone

There total 2 articles about 2-(1H-1,2,4-triazol-1-yl)-1-(4-trifluoromethylphenyl)ethanone 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:

: 584-13-4
4-amino-1,2,4-triazole

: 95727-88-1
2-(1H-1,2,4-triazol-1-yl)-1-(4-trifluoromethylphenyl)ethanone

Guidance literature:: With hydrogenchloride; sodium nitrite; Multistep reaction; 1.) i-PrOH;
DOI:10.1016/S0960-894X(99)00346-7

Reference yield:

: 99-91-2
para-chloroacetophenone

: 95727-88-1
2-(1H-1,2,4-triazol-1-yl)-1-(4-trifluoromethylphenyl)ethanone

Guidance literature:: Multi-step reaction with 2 steps

1.1: N-Bromosuccinimide

2.1: triethylamine / acetone / 1 h / 0 °C

2.2: 1 h / 20 °C

With N-Bromosuccinimide; triethylamine; In acetone;
DOI:10.1021/acs.jafc.2c00541