5-Trifluoromethyl-1H-pyrazole-3-carboxylic acid
- CAS No.
- 129768-28-1
- Chemical Name:
- 5-Trifluoromethyl-1H-pyrazole-3-carboxylic acid
- Synonyms
- 3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid;5-Trifluoromethylpyrazole-3-carboxylic acid;Albb-005389;1H-Pyrazole-3-carboxylic acid, 5-(tri;3-Carboxy-5-(trifluoromethyl)-1H-pyrazole;3-(Trifluoromethyl)pyrazole-5-carboxylic Acid;5-Trifluoromethyl-1H-pyrazole-3-carboxylic acid;1H-Pyrazole-3-carboxylic acid, 5-(trifluoromethyl)-;3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid(SALTDATA: FREE)
- CBNumber:
- CB0669595
- Molecular Formula:
- C5H3F3N2O2
- Molecular Weight:
- 180.08
- MDL Number:
- MFCD03094951
- MOL File:
- 129768-28-1.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| Melting point | 171 - 172°C |
|---|---|
| Boiling point | 354.2±42.0 °C(Predicted) |
| Density | 1.682±0.06 g/cm3(Predicted) |
| storage temp. | under inert gas (nitrogen or Argon) at 2-8°C |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 3.55±0.10(Predicted) |
| color | White to Off-White |
| InChI | InChI=1S/C5H3F3N2O2/c6-5(7,8)3-1-2(4(11)12)9-10-3/h1H,(H,9,10)(H,11,12) |
| InChIKey | CIVNBJPTGRMGRS-UHFFFAOYSA-N |
| SMILES | N1C(C(F)(F)F)=CC(C(O)=O)=N1 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|---|---|
| Signal word | Warning |
| Hazard statements | H320 |
| Precautionary statements | P264-P337+P313-P305+P351+P338 |
| Hazard Codes | Xi,Xn |
| Risk Statements | 22-20/21/22 |
| Safety Statements | 36/37 |
| HazardClass | IRRITANT |
| HS Code | 29331990 |
5-Trifluoromethyl-1H-pyrazole-3-carboxylic acid price More Price(73)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Usbiological | 234398 | 5-Trifluoromethyl-2H-pyrazole-3-carboxylic acid ≥95% (NMR) ≥95%(NMR) | 129768-28-1 | 100mg | $252 | 2026-06-03 | Buy |
| Usbiological | 234398 | 5-Trifluoromethyl-2H-pyrazole-3-carboxylic acid ≥95% (NMR) ≥95%(NMR) | 129768-28-1 | 250mg | $347 | 2026-06-03 | Buy |
| Usbiological | 234398 | 5-Trifluoromethyl-2H-pyrazole-3-carboxylic acid ≥95% (NMR) ≥95%(NMR) | 129768-28-1 | 1g | $588 | 2026-06-03 | Buy |
| Usbiological | 234398 | 5-Trifluoromethyl-2H-pyrazole-3-carboxylic acid ≥95% (NMR) ≥95%(NMR) | 129768-28-1 | 5g | $1683 | 2026-06-03 | Buy |
| Apolloscientific | PC200173 | 5-(Trifluoromethyl)-1H-pyrazole-3-carboxylic acid 98% | 129768-28-1 | 100mg | $26 | 2026-06-04 | Buy |
5-Trifluoromethyl-1H-pyrazole-3-carboxylic acid Chemical Properties,Uses,Production
Chemical Properties
Off-white solid
Synthesis
881693-05-6
129768-28-1
General procedure for the synthesis of 5-trifluoromethylpyrazole-3-carboxylic acid from 1-benzyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid: liquid ammonia (ca. 50 mL) was condensed into a three-necked flask in an ethanol-dry ice bath, followed by the addition of 1-benzyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid (100 mg, 3.70 mmol). Sodium metal (about 260 mg, 11.3 mmol) was added to the reaction mixture in batches until the reaction solution showed a persistent blue color for more than 5 minutes. Upon completion of the reaction, the ammonia was allowed to evaporate naturally overnight. Water was added to the residue and acidified with 2N HCl solution to pH < 7. The aqueous phase was extracted twice with ethyl acetate, the organic phases were combined and dried over anhydrous sodium sulfate. The solvent was removed by concentration under reduced pressure to give 5-trifluoromethyl-2H-pyrazole-3-carboxylic acid (560 mg, 3.11 mmol, 84% yield) as a yellow solid with mass spectral data of MS m/z = 179.0 (API-). The product could be used in subsequent reactions without further purification.
References
[1] Patent: WO2007/68465, 2007, A1. Location in patent: Page/Page column 30
[2] Patent: US2006/69145, 2006, A1. Location in patent: Page/Page column 9; 14
5-Trifluoromethyl-1H-pyrazole-3-carboxylic acid Preparation Products And Raw materials
Raw materials
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Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Shanghai Baisley Pharmaceutical Technology Co., Ltd. | 021-15995002467 15995002467 | chen_shuming@126.com | China | 155 | 58 |
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| PharmaBlock Sciences (Nanjing),Inc. | 025-86918202 4000255188 | sales@pharmablock.com | China | 5000 | 55 |
| Energy Chemical | 400-0056266 | sales8178@energy-chemical.com | China | 44850 | 61 |
| Carbott PharmTech Inc. | 0535-6385396 | info@carbottpharm.com | China | 996 | 56 |
| Wuhan Chemwish Technology Co., Ltd | 86-027-67849912 | sales@chemwish.com | China | 35884 | 56 |
| Adamas Reagent, Ltd. | 400-6009262 15618770481 | yhx@titansci.com | China | 14098 | 59 |
| Accela ChemBio Co.,Ltd. | 021-50795510 4000665055 | marketing@accelachem.com | China | 10972 | 64 |
| ZEROSCHEM.CO.,LTD. | 10-61256048 13810278579; | sales@zeroschem.com | China | 1399 | 59 |
| Shanghai Hanhong Scientific Co.,Ltd. | 021-54306202 13764082696 | info@hanhongsci.com | China | 42917 | 64 |
View Lastest Price from 5-Trifluoromethyl-1H-pyrazole-3-carboxylic acid manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2019-09-04 | 5-TRIFLUOROMETHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID
129768-28-1
|
$1.00 | 1KG | 97%-98% | 200KG | Career Henan Chemical Co |
-
- 5-TRIFLUOROMETHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID
129768-28-1
- $1.00
- 97%-98%
- Career Henan Chemical Co
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