1-(2-Bromophenyl)-2-(1H-1,2,4-triazole-1-YL)-ethanone

Base Information

Chemical Name:1-(2-Bromophenyl)-2-(1H-1,2,4-triazole-1-YL)-ethanone
CAS No.:126961-71-5
Molecular Formula:C₁₀H₈BrN₃O
Molecular Weight:266.097
Hs Code.:2933990090
DSSTox Substance ID:DTXSID90358769
Wikidata:Q82139603
ChEMBL ID:CHEMBL1699260
Mol file:126961-71-5.mol

Synonyms:126961-71-5;1-(2-bromophenyl)-2-(1,2,4-triazol-1-yl)ethanone;1-(2-BROMOPHENYL)-2-(1H-1,2,4-TRIAZOLE-1-YL)-ETHANONE;1-(2-bromophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone;1-(2-bromophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one;MLS001164205;CHEMBL1699260;DTXSID90358769;HMS2851G09;STL325635;AKOS009992577;SMR000539528;SR-01000213227;SR-01000213227-1

Suppliers and Price of 1-(2-Bromophenyl)-2-(1H-1,2,4-triazole-1-YL)-ethanone

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

American Custom Chemicals Corporation
1-(2-BROMOPHENYL)-2-(1H-1,2,4-TRIAZOL-1-YL)ETHAN-1-ONE 95.00%
5MG
$ 496.35

Total 4 raw suppliers

Chemical Property of 1-(2-Bromophenyl)-2-(1H-1,2,4-triazole-1-YL)-ethanone

Chemical Property:

PSA：47.78000
LogP:1.92350
XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:264.98507
Heavy Atom Count:15
Complexity:237

Purity/Quality:

98%min ^*data from raw suppliers

1-(2-BROMOPHENYL)-2-(1H-1,2,4-TRIAZOL-1-YL)ETHAN-1-ONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 1-(2-Bromophenyl)-2-(1H-1,2,4-triazole-1-YL)-ethanone

There total 4 articles about 1-(2-Bromophenyl)-2-(1H-1,2,4-triazole-1-YL)-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:

: 126961-69-1
4-Amino-1-[2-(2-bromo-phenyl)-2-oxo-ethyl]-4H-[1,2,4]triazol-1-ium; bromide

: 126961-71-5
1-(2-Bromo-phenyl)-2-[1,2,4]triazol-1-yl-ethanone

Guidance literature:: With sulfuric acid; sodium nitrite; In water; at 0 - 20 ℃; for 2h;

Reference yield:

: 2142-69-0
2-bromophenyl methyl ketone

: 126961-71-5
1-(2-Bromo-phenyl)-2-[1,2,4]triazol-1-yl-ethanone

Guidance literature:: Multi-step reaction with 2 steps

1: Br₂; acetic acid

2: anhydrous potassium carbonate / CHCl₃ / Heating

With bromine; potassium carbonate; acetic acid; In chloroform;
DOI:10.1080/00397910601031629

Reference yield:

: 49851-55-0
2,2'-dibromoacetophenone

: 126961-71-5
1-(2-Bromo-phenyl)-2-[1,2,4]triazol-1-yl-ethanone

Guidance literature:: Multi-step reaction with 2 steps

1: acetonitrile / 80 - 85 °C

2: conc. H₂SO₄, NaNO₂ / H₂O / 2 h / 0 - 20 °C

With sulfuric acid; sodium nitrite; In water; acetonitrile;