1-(4-Chlorophenyl)-5-(4-fluorophenyl)-3-(methylsulfonyl)-1H-1,2,4-triazole

Base Information

Chemical Name:1-(4-Chlorophenyl)-5-(4-fluorophenyl)-3-(methylsulfonyl)-1H-1,2,4-triazole
CAS No.:99793-75-6
Molecular Formula:C15H11ClFN3O2S
Molecular Weight:351.7831
Hs Code.:
DSSTox Substance ID:DTXSID70244252
Wikidata:Q83128560

Synonyms:1-(4-Chlorophenyl)-5-(4-fluorophenyl)-3-(methylsulfonyl)-1H-1,2,4-triazole;99793-75-6;1H-1,2,4-Triazole, 1-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(methylsulfonyl)-;C15H11ClFN3O2S;SCHEMBL11019852;DTXSID70244252;C15-H11-Cl-F-N3-O2-S;LS-155895

Suppliers and Price of 1-(4-Chlorophenyl)-5-(4-fluorophenyl)-3-(methylsulfonyl)-1H-1,2,4-triazole

Supply Marketing:

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

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Chemical Property of 1-(4-Chlorophenyl)-5-(4-fluorophenyl)-3-(methylsulfonyl)-1H-1,2,4-triazole

Chemical Property:

Vapor Pressure:1.08E-11mmHg at 25°C
Melting Point:154-155 °C
Boiling Point:539.2°Cat760mmHg
PKA:-2.68±0.50(Predicted)
Flash Point:279.9°C
PSA：73.23000
Density:1.46g/cm³
LogP:4.21110
XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:351.0244536
Heavy Atom Count:23
Complexity:499

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CS(=O)(=O)C1=NN(C(=N1)C2=CC=C(C=C2)F)C3=CC=C(C=C3)Cl

Technology Process of 1-(4-Chlorophenyl)-5-(4-fluorophenyl)-3-(methylsulfonyl)-1H-1,2,4-triazole

There total 2 articles about 1-(4-Chlorophenyl)-5-(4-fluorophenyl)-3-(methylsulfonyl)-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: 99.0%

: 99793-55-2
1-(4-Chloro-phenyl)-5-(4-fluoro-phenyl)-3-methylsulfanyl-1H-[1,2,4]triazole

: 99793-75-6
1-(4-chlorophenyl)-5-(4-fluorophenyl)-3-methylsulfonyl-1H-1,2,4-triazole

Guidance literature:: With 3-chloro-benzenecarboperoxoic acid; In chloroform; at 0 ℃; for 2h;
DOI:10.1016/0223-5234(90)90015-U

Reference yield:

: 99794-05-5
C₁₄H₁₁ClFN₃OS

: 99793-75-6
1-(4-chlorophenyl)-5-(4-fluorophenyl)-3-methylsulfonyl-1H-1,2,4-triazole

Guidance literature:: Multi-step reaction with 2 steps

1: 85 percent / aq. NaOH / methanol / 2 h / 60 °C

2: 99 percent / 84percent 3-chloroperbenzoic acid / CHCl₃ / 2 h / 0 °C

With sodium hydroxide; 3-chloro-benzenecarboperoxoic acid; In methanol; chloroform;
DOI:10.1016/0223-5234(90)90015-U