All Photos(1)
About This Item
Empirical Formula (Hill Notation):
C4H3F3N2
CAS Number:
Molecular Weight:
136.08
Beilstein:
1564179
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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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
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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.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.
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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)
Wei Zhang
Organic letters, 5(7), 1011-1013 (2003-03-28)
[reaction: see text] The fluorous synthesis of disubstituted pyrimidines is carried out by attaching 2,4-dichloro-6-methylpyrimidine with 1H,1H,2H,2H-perfluorodecanethiol. The tagged substrate is substituted with 3-(trifluoromethyl)pyrazole followed by thioether oxidation and tag displacement with amines or thiols. The fluorous chain serves as
Yan Cai et al.
Life sciences, 221, 135-142 (2019-02-08)
Bitter taste receptor (TAS2R) agonists have bronchodilatory potentials. Erythromycin is a ligand of TAS2R10, but its relaxant profile is unknown. This study was performed to understand the relaxant effects of erythromycin and its potential mechanism. Airway resistance was tested by
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