406228
3-(Trifluoromethyl)pyrazole
99%
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About This Item
Empirical Formula (Hill Notation):
C4H3F3N2
CAS Number:
Molecular Weight:
136.08
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
1564179
Assay:
99%
assay
99%
bp
70 °C/2 mmHg (lit.)
mp
45-47 °C (lit.)
SMILES string
FC(F)(F)c1cc[nH]n1
InChI
1S/C4H3F3N2/c5-4(6,7)3-1-2-8-9-3/h1-2H,(H,8,9)
InChI key
PYXNITNKYBLBMW-UHFFFAOYSA-N
General description
3-(Trifluoromethyl)pyrazoles is a heterocyclic building block. It undergoes alkylation with alkyl iodides in DMF to afford the N-alkyl pyrazoles. It participates in the synthesis of disubstituted pyrimidines.
Application
3-(Trifluoromethyl)pyrazole may be used in copper-catalyzed pyrazole N-arylation. It may be used in the synthesis of sodium hydridotris(1H-3-trifluoromethylpyrazol-1-yl)borate by heating with sodium borohydride.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
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Mild Conditions for Copper-Catalysed N-Arylation of Pyrazoles.
Cristau HJ, et al.
European Journal of Organic Chemistry, 4, 695-709 (2004)
[A simple method for the direct preparation of O2,3'-cyclo-2'-desoxynucleosides].
G Kowollik et al.
Tetrahedron letters, 44(44), 3863-3865 (1969-09-01)
The effect of the 3-trifluoromethyl substituent in polypyrazolylborato complexes on the iron(II) spin state; X-ray diffraction and absorption and Mossbauer studies.
Cecchi P, et al.
Inorgorganica Chimica Acta, 318(1), 67-76 (2001)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 406228-5G | 04061832993645 |
| 406228-1G | 04061826198544 |