3-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole

Base Information

Chemical Name:3-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole
CAS No.:142623-90-3
Molecular Formula:C10H6ClF3N2
Molecular Weight:246.619
Hs Code.:2933199090
European Community (EC) Number:646-565-2
DSSTox Substance ID:DTXSID90352686
Nikkaji Number:J3.497.358J
Wikidata:Q82129954
Mol file:142623-90-3.mol

Synonyms:3-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole;142623-90-3;Bio3C7;Maybridge3_001960;5-(4-chlorophenyl)-3-(trifluoromethyl)-1h-pyrazole;SCHEMBL1528316;DTXSID90352686;YEWZHKXOYAEAAS-UHFFFAOYSA-N;HMS1436J02;MFCD02679510;STK806359;AKOS005608163;AT19470;IDI1_013347;CS-0080466;EU-0044246;FT-0724520;5-(4-chlorophenyl)-3-trifluoromethyl-1h-pyrazole;SR-01000487880;5-(4-Chloro-phenyl)-3-trifluoromethyl-1H-pyrazole;SR-01000487880-1;5-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole, AldrichCPR

Suppliers and Price of 3-(4-chlorophenyl)-5-(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

Heterocyclics
3-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole 97%
5g
$ 400.00

Heterocyclics
3-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole 97%
1g
$ 100.00

Crysdot
3-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole 97%
10g
$ 431.00

Chemenu
3-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole 95%+
1g
$ 411.00

Chemenu
3-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole 95%+
5g
$ 1033.00

Biosynth Carbosynth
3-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole
1 g
$ 455.60

Biosynth Carbosynth
3-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole
250 mg
$ 115.00

Biosynth Carbosynth
3-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole
100 mg
$ 97.00

Biosynth Carbosynth
3-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole
50 mg
$ 60.50

Biosynth Carbosynth
3-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole
500 mg
$ 185.00

Total 4 raw suppliers

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

Chemical Property:

Boiling Point:362.7±42.0 °C(Predicted)
PKA:9.36±0.10(Predicted)
PSA：28.68000
Density:1.436±0.06 g/cm3(Predicted)
LogP:3.74890
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:246.0171604
Heavy Atom Count:16
Complexity:239

Purity/Quality:

NLT 98% ^*data from raw suppliers

3-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C2=NNC(=C2)C(F)(F)F)Cl

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

There total 13 articles about 3-(4-chlorophenyl)-5-(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: 98.0%

: 204708-09-8
(E)-1,1,1-trifluoro-4-(4-chlorophenyl)but-3-en-2-one

: 142623-90-3
5-(4-chloridophenyl)-3-(trifluoridomethyl)-1H-pyrazole

Guidance literature:: With sodium acetate; toluene-4-sulfonic acid hydrazide; In ethanol; at 80 ℃; for 12h; regioselective reaction; Schlenk technique;
DOI:10.1016/j.tet.2015.09.007

Reference yield: 93.0%

: 873-73-4
4-n-chlorophenylacetylene

: 2236129-81-8
trifluoroacetaldehyde N-triftosylhydrazone

: 142623-90-3
5-(4-chloridophenyl)-3-(trifluoridomethyl)-1H-pyrazole

Guidance literature:: With potassium hydroxide; In 1,4-dioxane; at 100 ℃; for 10h; Schlenk technique; Glovebox; Inert atmosphere;
DOI:10.1021/acs.orglett.0c00395