1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID

Product Name: 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
CAS No.: 113100-53-1
Chemical Name: 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
Synonyms: -3-(trifL;)-1H-pyrazoL;BUTTPARK 99\18-24;1H-Pyrazole-4-carboxylic acid, 1-methyl-3-;1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxy;4-Carboxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole;1-Methyl-3-trifluoromethyl-4-pyrazolecarboxylic Acid;1-METHYL-3-TRIFLUOROMETHYLPYRAZOLE-4-CARBOXYLIC ACID;2-Methyl-5-trifluoromethyl-2H-pyrazole-3-carbonylchloride;1-Methyl-3-(trifluoromethyl)-1H-pyrazol-4-carboxylic acid
CBNumber: CB5768709
Molecular Formula: C6H5F3N2O2
Formula Weight: 194.11
MOL File: 113100-53-1.mol

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1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID Property

Melting point:: 203 °C
Boiling point:: 285.6±40.0 °C(Predicted)
Density: 1.56±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: DMSO (Slightly), Methanol (Slightly)
form: Solid
pka: 2.93±0.36(Predicted)
color: White to Off-White
InChI: InChI=1S/C6H5F3N2O2/c1-11-2-3(5(12)13)4(10-11)6(7,8)9/h2H,1H3,(H,12,13)
InChIKey: FZNKJQNEJGXCJH-UHFFFAOYSA-N
SMILES: N1(C)C=C(C(O)=O)C(C(F)(F)F)=N1

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Safety

Hazard Codes: Xi
Risk Statements: 36/37/38
Safety Statements: 26-36/37/39-24/25
WGK Germany: 2
HazardClass: IRRITANT
HS Code: 29331990

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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.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: 705527
Product name: 3-(Trifluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid
Purity: 97%
Packaging: 1g
Price: $63.4
Updated: 2023/06/20

TCI Chemical

Product number: M2628
Product name: 1-Methyl-3-(trifluoromethyl)pyrazole-4-carboxylic Acid
Purity: >98.0%(GC)(T)
Packaging: 1g
Price: $41
Updated: 2025/07/31

TRC

Product number: T791365
Product name: 3-(Trifluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid
Packaging: 2.5g
Price: $120
Updated: 2021/12/16

TRC

Product number: T791365
Product name: 3-(Trifluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid
Packaging: 10g
Price: $375
Updated: 2021/12/16

TRC

Product number: T791365
Product name: 3-(Trifluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid
Packaging: 25g
Price: $745
Updated: 2021/12/16

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1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID Chemical Properties,Usage,Production

Chemical Properties

White solid

Uses

3-(Trifluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic Acid is used in the synthesis of diaryl ether inhibitors of Toxoplasma gondii enoyl reductase. Also used in the synthesis of 4-carboxamide derivatives acting as antifungal agents.

Synthesis

111493-74-4

113100-53-1

General procedure for the synthesis of 1-methyl-3-trifluoromethyl-1H-pyrazole-4-carboxylic acid from ethyl 1-methyl-3-trifluoromethyl-1H-pyrazole-4-carboxylate: to a reaction vial, ethyl 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate (5600 mg, 25 mmol) and potassium hydroxide (4740 mg, 30 mmol) were added in 50 mL of solvent. The reaction mixture was stirred at room temperature overnight. Upon completion of the reaction, the reaction solution was acidified to pH 1 with dilute hydrochloric acid and a white solid product was precipitated. The solid was collected by filtration and washed with an appropriate solvent and dried to give 1-methyl-3-trifluoromethyl-1H-pyrazole-4-carboxylic acid in 59% yield with a melting point of 195-196 °C. The structure of the product was confirmed by 1H NMR (500 MHz, DMSO-d6) with chemical shifts of δ 12.80 (s, 1H, COOH), 8.44 (s, 1H, CH on the pyrazole ring), 3.93 (s, 3H, CH3).

References

[1] Angewandte Chemie - International Edition, 2017, vol. 56, # 16, p. 4569 - 4574
[2] Angew. Chem., 2017, vol. 129, # 16, p. 4640 - 4645,6
[3] Molecules, 2012, vol. 17, # 12, p. 14205 - 14218
[4] Journal of Molecular Structure, 2018, vol. 1171, p. 631 - 638
[5] Patent: EP2263999, 2010, A1. Location in patent: Page/Page column 21-22

1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID Preparation Products And Raw materials

Raw materials

Ethyl vinyl ether Ethyl 4,4,4-trifluoroacetoacetate Hexane tert-Butyllithium Acetic anhydride Triethyl orthoformate Sodium thiosulfate Trifluoroacetic acid Carbon dioxide Pentane Tetrahydrofuran Diethyl ether Bromine Methylhydrazine Methanol Sodium hydroxide Iron 4-Dimethylaminopyridine

Preparation Products

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1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID Suppliers

Americas 1 Belgium 2 China 174 Europe 1 France 3 Germany 6 India 4 Japan 2 The Netherlands 1 United Kingdom 11 United States 36 Global 241

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View Lastest Price from 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID manufacturers

ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD

Product: 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID 113100-53-1
Price: US $2.00-5.00/kg
Min. Order: 1kg
Purity: 99%
Supply Ability: 100kg
Release date: 2025-06-13

Changzhou waston chemical technology Co.,Ltd

Product: 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID 113100-53-1
Price: US $0.00/kg
Min. Order: 1kg
Purity: 98%
Supply Ability: As your request
Release date: 2024-03-06

Career Henan Chemical Co

Product: 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID 113100-53-1
Price: US $1.00/kg
Min. Order: 1kg
Purity: 98%
Supply Ability: 100KG
Release date: 2018-12-22

113100-53-1, 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACIDRelated Search:

1-METHYL-3-TRIFLUOROMETHYLPYRAZOLE-4-CARBOXYLIC ACID

1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid ,97%

BUTTPARK 99\18-24

1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID

1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxy

1-Methyl-3-trifluoromethyl-4-pyrazolecarboxylic Acid

2-Methyl-5-trifluoromethyl-2H-pyrazole-3-carbonylchloride

3-(TrifluoroMethyl)-1-Methyl-1H-pyrazole-4-carboxylic acid

4-Carboxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole

3-(Trifluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid 97%

1-Methyl-3-(trifluoromethyl)pyrazole-4-carboxylic Acid &gt

1H-Pyrazole-4-carboxylic acid, 1-methyl-3-(trifluoromethyl)-

)-1H-pyrazoL

-3-(trifL

1-Methyl-3-(trifluoromethyl)-1H-pyrazol-4-carboxylic acid

1H-Pyrazole-4-carboxylic acid, 1-methyl-3-

3-(Trifluoromethyl)-1-methyl-1<i>H</i>-pyrazole-4-carboxylic acid

113100-53-1

C6H5F3N2O2

Building Blocks

Pyrazole