5-Bromo-1-(4-nitrophenyl)-3-(trifluoromethyl)-1H-pyrazole

Base Information

Chemical Name:5-Bromo-1-(4-nitrophenyl)-3-(trifluoromethyl)-1H-pyrazole
CAS No.:245748-62-3
Molecular Formula:C₁₀H₅BrF₃N₃O₂
Molecular Weight:336.068
Hs Code.:2933199090
DSSTox Substance ID:DTXSID40441236
Wikidata:Q82257916
Mol file:245748-62-3.mol

Synonyms:5-Bromo-1-(4-nitrophenyl)-3-(trifluoromethyl)-1H-pyrazole;245748-62-3;5-bromo-1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole;AGN-PC-0N5VII;SCHEMBL7319707;DTXSID40441236;PHKUIOUZQWVAJB-UHFFFAOYSA-N

Suppliers and Price of 5-Bromo-1-(4-nitrophenyl)-3-(trifluoromethyl)-1H-pyrazole

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

Crysdot
5-Bromo-1-(4-nitrophenyl)-3-(trifluoromethyl)-1H-pyrazole 95+%
1g
$ 788.00

Chemenu
5-bromo-1-(4-nitrophenyl)-3-(trifluoromethyl)-1H-pyrazole 95%
1g
$ 744.00

Alichem
5-Bromo-1-(4-nitrophenyl)-3-(trifluoromethyl)-1H-pyrazole
1g
$ 685.87

Total 2 raw suppliers

Chemical Property of 5-Bromo-1-(4-nitrophenyl)-3-(trifluoromethyl)-1H-pyrazole

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:371.041°C at 760 mmHg
PKA:-5.97±0.10(Predicted)
Flash Point:178.199°C
PSA：63.64000
Density:1.825g/cm³
LogP:4.08500
Storage Temp.:2-8°C
XLogP3:3.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:334.95172
Heavy Atom Count:19
Complexity:342

Purity/Quality:

98% ^*data from raw suppliers

5-Bromo-1-(4-nitrophenyl)-3-(trifluoromethyl)-1H-pyrazole 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1N2C(=CC(=N2)C(F)(F)F)Br)[N+](=O)[O-]

Technology Process of 5-Bromo-1-(4-nitrophenyl)-3-(trifluoromethyl)-1H-pyrazole

There total 4 articles about 5-Bromo-1-(4-nitrophenyl)-3-(trifluoromethyl)-1H-pyrazole 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: 86.0%

: 245748-62-3
5-bromo-1-(4-nitrophenyl)-3-(trifluoromethyl)-1H-pyrazole

Guidance literature:

Reference yield: 20.0%

: 19968-16-2
5-bromo-3-(trifluoromethyl)-1H-pyrazole

: 350-46-9,178603-76-4
4-Fluoronitrobenzene

: 3-bromo-1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole

: 245748-62-3
5-bromo-1-(4-nitrophenyl)-3-(trifluoromethyl)-1H-pyrazole

Guidance literature:: With potassium carbonate; In N,N-dimethyl-formamide; at 25 - 80 ℃; for 12h; Inert atmosphere;
DOI:10.1002/cmdc.201500401

Reference yield:

: 100-16-3
4-nitrophenylhydrazone

: 245748-62-3
5-bromo-1-(4-nitrophenyl)-3-(trifluoromethyl)-1H-pyrazole

Guidance literature:: Multi-step reaction with 2 steps

1: HCl / ethanol / Heating

2: POBr₃ / Heating

With hydrogenchloride; phosphorus(V) oxybromide; In ethanol; 1: cyclocondensation, dealkylation / 2: Substitution;
DOI:10.1021/jm990615a