3-(Trifluoromethyl)pyrazole
- Product Name
- 3-(Trifluoromethyl)pyrazole
- CAS No.
- 20154-03-4
- Chemical Name
- 3-(Trifluoromethyl)pyrazole
- Synonyms
- 3-(TRIFLUOROMETHYL)-1H-PYRAZOLE;AKOS B018777;AKOS PAO-1199;BUTTPARK 29\08-71;TIMTEC-BB SBB000068;ART-CHEM-BB B018777;TRIFLUOROMETHYLPYRAZOLE;3-(TRIFLUOROMETHYL)PYRAZOLE;3-(trifloromethyl)-1H-pyrazole;3-(Trifluoromethyl)pyrazole 99%
- CBNumber
- CB3681435
- Molecular Formula
- C4H3F3N2
- Formula Weight
- 136.08
- MOL File
- 20154-03-4.mol
3-(Trifluoromethyl)pyrazole Property
- Melting point:
- 45-47 °C (lit.)
- Boiling point:
- 70 °C/2 mmHg (lit.)
- Density
- 1.3931 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 10.56±0.10(Predicted)
- color
- White to Light yellow
- BRN
- 1564179
- InChI
- InChI=1S/C4H3F3N2/c5-4(6,7)3-1-2-8-9-3/h1-2H,(H,8,9)
- InChIKey
- PYXNITNKYBLBMW-UHFFFAOYSA-N
- SMILES
- N1C=CC(C(F)(F)F)=N1
- CAS DataBase Reference
- 20154-03-4(CAS DataBase Reference)
Safety
- Hazard Codes
- Xi
- Risk Statements
- 36/37/38
- Safety Statements
- 26-36-37/39
- WGK Germany
- 3
- HazardClass
- IRRITANT
- HS Code
- 29331990
- Storage Class
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- 406228
- Product name
- 3-(Trifluoromethyl)pyrazole
- Purity
- 99%
- Packaging
- 1g
- Price
- $25
- Updated
- 2023/06/20
- Product number
- 406228
- Product name
- 3-(Trifluoromethyl)pyrazole
- Purity
- 99%
- Packaging
- 5g
- Price
- $67.6
- Updated
- 2023/06/20
- Product number
- T2765
- Product name
- 3-(Trifluoromethyl)pyrazole
- Purity
- >98.0%(GC)
- Packaging
- 1g
- Price
- $29
- Updated
- 2025/07/31
- Product number
- T2765
- Product name
- 3-(Trifluoromethyl)pyrazole
- Purity
- >98.0%(GC)
- Packaging
- 5g
- Price
- $84
- Updated
- 2025/07/31
- Product number
- T791540
- Product name
- 3-(Trifluoromethyl)pyrazole
- Packaging
- 25g
- Price
- $635
- Updated
- 2021/12/16
3-(Trifluoromethyl)pyrazole Chemical Properties,Usage,Production
Chemical Properties
Colorless to light yellow liqui
Uses
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.
Uses
3-(Trifluoromethyl)pyrazole was determined to be a small compound inhibitor of human FATP2.
Definition
ChEBI: 3-(Trifluoromethyl)-1H-pyrazole is a member of pyrazoles.
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.
Synthesis
59938-06-6
20154-03-4
Example 2 Preparation of 3-(trifluoromethyl)-1H-pyrazole: In a three-necked flask equipped with a mechanical stirrer, a reflux condenser, and a dropping funnel, a solution of 4.4 moles of hydrazine hydrochloride dissolved in 2.2 L of methanol was added. Under nitrogen protection, an equimolar amount of (E)-1-ethoxy-3-trifluoromethyl-1,3-butadiene (ETFBO) was slowly added through the dropping funnel in a titration process for about 4 hours while the temperature of the reaction mixture was controlled to remain below 15 °C. After completion of the dropwise addition, the reaction mixture was refluxed for 12 hours. At the end of the reaction, the reaction solution was filtered and transferred to a 2L flask and concentrated under vacuum (another batch of reaction prepared in parallel under the same conditions, the total yield of the two batches of crude product was about 95%). After combining the two batches of crude product, purification was carried out by short-range vacuum distillation (27 mbar), resulting in 1105 g of pure product in 92% yield of the theoretical value.
References
[1] Patent: WO2010/37688, 2010, A1. Location in patent: Page/Page column 8
[2] Patent: WO2009/14730, 2009, A1. Location in patent: Page/Page column 131-132
[3] Patent: WO2011/17389, 2011, A1. Location in patent: Page/Page column 152
[4] Journal of Organic Chemistry USSR (English Translation), 1990, vol. 26, # 9.1, p. 1623 - 1628
[5] Zhurnal Organicheskoi Khimii, 1990, vol. 26, # 9, p. 1877 - 1883
3-(Trifluoromethyl)pyrazole Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 3-(Trifluoromethyl)pyrazole manufacturers
- Product
- 3-(Trifluoromethyl)pyrazole 20154-03-4
- Price
- US $0.00/kg
- Min. Order
- 1kg
- Purity
- 98%
- Supply Ability
- 20TON
- Release date
- 2024-12-11
- Product
- 3-(Trifluoromethyl)pyrazole 20154-03-4
- Price
- US $5.00-0.50/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- g-kg-tons, free sample is available
- Release date
- 2024-01-13
- Product
- 3-(Trifluoromethyl)pyrazole 20154-03-4
- Price
- US $1.00/KG
- Min. Order
- 25KG
- Purity
- 99.0%
- Supply Ability
- 5000KG/th
- Release date
- 2023-06-15