5-TRIFLUOROMETHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID
- Product Name
- 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
- Formula Weight
- 180.08
- MOL File
- 129768-28-1.mol
5-TRIFLUOROMETHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID Property
- 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
- Hazard Codes
- Xi,Xn
- Risk Statements
- 22-20/21/22
- Safety Statements
- 36/37
- HazardClass
- IRRITANT
- HS Code
- 29331990
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H320Causes eye irritation
- Precautionary statements
-
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P337+P313IF eye irritation persists: Get medical advice/attention.
N-Bromosuccinimide Price
- Product number
- T897605
- Product name
- 3-(Trifluoromethyl)-1H-pyrazole-5-carboxylicAcid
- Packaging
- 100mg
- Price
- $60
- Updated
- 2021/12/16
- Product number
- T897605
- Product name
- 3-(Trifluoromethyl)-1H-pyrazole-5-carboxylicAcid
- Packaging
- 50mg
- Price
- $45
- Updated
- 2021/12/16
- Product number
- T897605
- Product name
- 3-(Trifluoromethyl)-1H-pyrazole-5-carboxylicAcid
- Packaging
- 500mg
- Price
- $240
- Updated
- 2021/12/16
- Product number
- PC200173
- Product name
- 5-(Trifluoromethyl)-1H-pyrazole-3-carboxylicacid
- Packaging
- 1g
- Price
- $280
- Updated
- 2021/12/16
- Product number
- 4H21-3-35
- Product name
- 5-(Trifluoromethyl)-1H-pyrazole-3-carboxylic acid
- Packaging
- 500mg
- Price
- $320
- Updated
- 2021/12/16
5-TRIFLUOROMETHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID Chemical Properties,Usage,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
Preparation Products
5-TRIFLUOROMETHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID Suppliers
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- sales@apolloscientific.co.uk
- Country
- United Kingdom
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- 6084
- Advantage
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- United Kingdom
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View Lastest Price from 5-TRIFLUOROMETHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID manufacturers
- Product
- 5-TRIFLUOROMETHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID 129768-28-1
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 97%-98%
- Supply Ability
- 200KG
- Release date
- 2019-09-03