5-(Trifluoromethyl)isoxazole

Base Information

Chemical Name:5-(Trifluoromethyl)isoxazole
CAS No.:116584-43-1
Molecular Formula:C4H2F3NO
Molecular Weight:137.06
Hs Code.:2934999090
European Community (EC) Number:631-432-3
DSSTox Substance ID:DTXSID70403564
Wikidata:Q82207263
Mol file:116584-43-1.mol

Synonyms:5-(Trifluoromethyl)isoxazole;116584-43-1;5-(trifluoromethyl)-1,2-oxazole;5-Trifluoromethyl-isoxazole;5-trifluoromethylisoxazole;5-(TRIFLUOROMETHYL)ISOXAZOLE, 97;Isoxazole,5-(trifluoromethyl)-;SCHEMBL2331774;DTXSID70403564;MFCD00674004;AKOS005063767;SB30964;CS-0339153;FT-0708970;F13865;A803645;InChI=1/C4H2F3NO/c5-4(6,7)3-1-2-8-9-3/h1-2

Suppliers and Price of 5-(Trifluoromethyl)isoxazole

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

J&W Pharmlab
5-Trifluoromethyl-isoxazole 96%
250mg
$ 275.00

Crysdot
5-(Trifluoromethyl)isoxazole 95+%
1g
$ 474.00

American Custom Chemicals Corporation
5-(TRIFLUOROMETHYL)ISOXAZOLE 95.00%
5MG
$ 495.62

Total 28 raw suppliers

Chemical Property of 5-(Trifluoromethyl)isoxazole

Chemical Property:

Vapor Pressure:29.3mmHg at 25°C
Refractive Index:n20/D 1.348(lit.)
Boiling Point:109.2 °C at 760 mmHg
Flash Point:19.9 °C
PSA：26.03000
Density:1.384 g/cm³
LogP:1.69340
XLogP3:1.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:0
Exact Mass:137.00884817
Heavy Atom Count:9
Complexity:103

Purity/Quality:

99% ^*data from raw suppliers

5-Trifluoromethyl-isoxazole 96% ^*data from reagent suppliers

Safty Information:

Pictogram(s): F, Xi
Hazard Codes:F,Xi
Statements: 11-36/37/38
Safety Statements: 16-26-36

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=C(ON=C1)C(F)(F)F

Technology Process of 5-(Trifluoromethyl)isoxazole

There total 5 articles about 5-(Trifluoromethyl)isoxazole 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: 68.0%

: 134219-67-3
5-hydroxy-5-trifluoromethyl-Δ²-isoxazoline

: 116584-43-1
5-trifluoromethyl-isoxazole

Guidance literature:: With phosphorus pentaoxide; Heating;

Reference yield: 65.2%

: 88283-10-7
5-trichloromethyl isoxazole

: 116584-43-1
5-trifluoromethyl-isoxazole

Guidance literature:: With antimonypentachloride; antimony(III) fluoride; to 140 deg C, reflux then 90 min reflux;
DOI:10.1016/S0022-1139(00)80124-4