4-(3-(Trifluoromethyl)phenyl)-3H-1,2,4-triazole-3,5(4H)-dione

Base Information

Chemical Name:4-(3-(Trifluoromethyl)phenyl)-3H-1,2,4-triazole-3,5(4H)-dione
CAS No.:89676-71-1
Molecular Formula:C9H4F3N3O2
Molecular Weight:243.145
Hs Code.:
DSSTox Substance ID:DTXSID60572096
Nikkaji Number:J911.829B
Wikidata:Q82460354

Synonyms:89676-71-1;4-(3-(Trifluoromethyl)phenyl)-3H-1,2,4-triazole-3,5(4H)-dione;4-[3-(Trifluoromethyl)phenyl]-3H-1,2,4-triazole-3,5(4H)-dione;DTXSID60572096

Suppliers and Price of 4-(3-(Trifluoromethyl)phenyl)-3H-1,2,4-triazole-3,5(4H)-dione

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of 4-(3-(Trifluoromethyl)phenyl)-3H-1,2,4-triazole-3,5(4H)-dione

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:243.02556087
Heavy Atom Count:17
Complexity:362

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC(=C1)N2C(=O)N=NC2=O)C(F)(F)F

Technology Process of 4-(3-(Trifluoromethyl)phenyl)-3H-1,2,4-triazole-3,5(4H)-dione

There total 3 articles about 4-(3-(Trifluoromethyl)phenyl)-3H-1,2,4-triazole-3,5(4H)-dione 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%

: 4-(m-(trifluoromethyl)phenyl)urazole

: 89676-71-1
4-[m-(trifluoromethyl)phenyl]-1,2,4-triazoline-3,5-dione

Guidance literature:: With dinitrogen tetraoxide; sodium sulfate; In dichloromethane; at 0 ℃;
DOI:10.1021/ja00322a023

Reference yield:

: 274266-04-5
C₁₁H₁₂F₃N₃O₃

: 89676-71-1
4-[m-(trifluoromethyl)phenyl]-1,2,4-triazoline-3,5-dione

Guidance literature:: Multi-step reaction with 2 steps

1: KOH / H₂O / 2 h

2: 80 percent / anhydrous Na₂SO₄, N₂O₄ / CH₂Cl₂ / 0 °C

With dinitrogen tetraoxide; sodium sulfate; potassium hydroxide; In dichloromethane; water;
DOI:10.1021/ja00322a023

Reference yield:

: 329-01-1
1-isocyanato-3-trifluoromethyl-benzene

: 89676-71-1
4-[m-(trifluoromethyl)phenyl]-1,2,4-triazoline-3,5-dione

Guidance literature:: Multi-step reaction with 3 steps

1: benzene / 20-25 deg C, 2 h; reflux, 2 h

2: KOH / H₂O / 2 h

3: 80 percent / anhydrous Na₂SO₄, N₂O₄ / CH₂Cl₂ / 0 °C

With dinitrogen tetraoxide; sodium sulfate; potassium hydroxide; In dichloromethane; water; benzene;
DOI:10.1021/ja00322a023