3-Fluoro-1H-pyrazole

Base Information

Chemical Name:3-Fluoro-1H-pyrazole
CAS No.:14521-81-4
Molecular Formula:C3H3FN2
Molecular Weight:86.0686
Hs Code.:2933199090
European Community (EC) Number:812-315-8
DSSTox Substance ID:DTXSID20567640
Nikkaji Number:J1.042.636G,J1.042.637E
Wikidata:Q82453586
Mol file:14521-81-4.mol

Synonyms:3-Fluoro-1H-pyrazole;14521-81-4;5-fluoro-1H-pyrazole;1H-Pyrazole, 3-fluoro-;73311-17-8;MFCD18205877;fluoropyrazole;Allyloxypropanol;5-fluoropyrazole;DTXSID20567640;WNDHCIJGEKNYNF-UHFFFAOYSA-N;AMY34850;AKOS016004925;AKOS024046860;SB11400;AS-57810;SY072990;CS-0035415;EN300-396000;P13416

Suppliers and Price of 3-Fluoro-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

TRC
3-?fluoro-1H-?Pyrazole
50mg
$ 165.00

SynQuest Laboratories
3-Fluoro-1H-pyrazole
250 mg
$ 595.00

SynQuest Laboratories
3-Fluoro-1H-pyrazole
1 g
$ 795.00

Matrix Scientific
5-Fluoro-1H-pyrazole 95+%
1g
$ 1304.00

J&W Pharmlab
3-Fluoro-1H-pyrazole 95%
250mg
$ 549.00

J&W Pharmlab
3-Fluoro-1H-pyrazole 95%
50mg
$ 212.00

J&W Pharmlab
5-Fluoro-1H-pyrazole 95%
1g
$ 1880.00

J&W Pharmlab
3-Fluoro-1H-pyrazole 95%
5g
$ 6880.00

Crysdot
5-Fluoro-1H-pyrazole 97%
5g
$ 2352.00

Crysdot
5-Fluoro-1H-pyrazole 97%
100g
$ 23556.00

Total 24 raw suppliers

Chemical Property of 3-Fluoro-1H-pyrazole

Chemical Property:

Melting Point:77-78 °C
Boiling Point:77-78 °C(Press: 12 Torr)
PKA:11.28±0.10(Predicted)
PSA：28.68000
Density:1.320±0.06 g/cm3(Predicted)
LogP:0.54880
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:86.02802627
Heavy Atom Count:6
Complexity:48.1

Purity/Quality:

99%, ^*data from raw suppliers

3-?fluoro-1H-?Pyrazole ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=C(NN=C1)F
Uses 3-?fluoro-1H-?Pyrazole has been the basis of many computational chemistry studies regarding its aromaticity and the structure of its tautomers.

Technology Process of 3-Fluoro-1H-pyrazole

There total 1 articles about 3-Fluoro-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:

: 14521-81-4
3-fluoro-1H-pyrazole

Guidance literature:: Pyrazol-3(5)-diazonium-tetrafluoroborat, NaKF2, therm. Zersetzung;

Reference yield: 44.0%

: 512776-95-3
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyloxirane-2-carboxamide

: 14521-81-4
3-fluoro-1H-pyrazole

: (S)-N-(4-cyano-3-(trifluoromethyl)phenyl)-3-(3-fluoro-1H-pyrazol-1-yl)-2-hydroxy-2-methylpropanamide

Guidance literature:: 3-fluoro-1H-pyrazole; With sodium hydride; In tetrahydrofuran; mineral oil; at 0 ℃; for 3h; Inert atmosphere;

(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyloxirane-2-carboxamide; In tetrahydrofuran; mineral oil; at 20 ℃; Inert atmosphere;
DOI:10.1021/acs.jmedchem.0c00943