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1218790-40-9

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1218790-40-9 Structure

1218790-40-9 Structure
IdentificationBack Directory
[Name]

3-Trifluoromethyl-1H-pyrazole-4-boronic acid pinacol ester
[CAS]

1218790-40-9
[Synonyms]

3-(Trifluoromethyl)pyrazole-4-boronic Acid Pinacol Ester
3-Trifluoromethyl-1H-pyrazole-4-boronic acid pinacol ester
(3-(TRIFLUOROMETHYL)-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTER
3-(Trifluoromethyl)-1H-pyrazole-4-boronic acid pinacol ester 97%
4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole
4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE
1H-Pyrazole, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-
[Molecular Formula]

C10H14BF3N2O2
[MDL Number]

MFCD11501039
[MOL File]

1218790-40-9.mol
[Molecular Weight]

262.04
Chemical PropertiesBack Directory
[Melting point ]

151-155°C
[Boiling point ]

347.4±42.0 °C(Predicted)
[density ]

1.25±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[form ]

solid
[pka]

9.92±0.50(Predicted)
[color ]

White to off-white
[InChI]

InChI=1S/C10H14BF3N2O2/c1-8(2)9(3,4)18-11(17-8)6-5-15-16-7(6)10(12,13)14/h5H,1-4H3,(H,15,16)
[InChIKey]

WHYPQJYBTNZKBY-UHFFFAOYSA-N
[SMILES]

N1C=C(B2OC(C)(C)C(C)(C)O2)C(C(F)(F)F)=N1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36/37/39
[WGK Germany ]

1
[HS Code ]

2933199090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

[3-(Trifluoromethyl)-1H-pyrazol-4-yl]boronic Acid Pinacol Ester is a chemical reagent used in the synthesis of carboxamides used in the treatment of lymphomas, psoriasis and endometriosis.
Spectrum DetailBack Directory
[Spectrum Detail]

3-Trifluoromethyl-1H-pyrazole-4-boronic acid pinacol ester(1218790-40-9)1HNMR
3-Trifluoromethyl-1H-pyrazole-4-boronic acid pinacol ester(1218790-40-9)1HNMR
3-Trifluoromethyl-1H-pyrazole-4-boronic acid pinacol ester(1218790-40-9)19FNMR
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