3-(TrifluoroMethyl)pyrazole-4-corboxylic acid

3-(TrifluoroMethyl)pyrazole-4-corboxylic acid - Names and Identifiers

Name	5-(Trifluoromethyl)-1H-pyrazole-4-carboxylic acid
Synonyms	3-(TrifluoroMethyl)pyrazole-4-corboxylic acid 3-(TrifluoroMethyl)pyrazole-4-carboxylic acid (TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID 5-(Trifluoromethyl)-1H-pyrazole-4-carboxylic acid 5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID 1H-Pyrazole-4-carboxylic acid,3-(trifluoromethyl)- 1H-pyrazole-4-carboxylic acid, 5-(trifluoromethyl)-
CAS	543739-84-0
InChI	InChI=1/C5H3F3N2O2/c6-5(7,8)3-2(4(11)12)1-9-10-3/h1H,(H,9,10)(H,11,12)

3-(TrifluoroMethyl)pyrazole-4-corboxylic acid - Physico-chemical Properties

Molecular Formula	C5H3F3N2O2
Molar Mass	180.08
Density	1.682±0.06 g/cm3(Predicted)
Melting Point	248-253°C
Boling Point	349.9±42.0 °C(Predicted)
Flash Point	165.4°C
Vapor Presure	1.71E-05mmHg at 25°C
pKa	2.86±0.36(Predicted)
Storage Condition	2-8°C
Sensitive	Irritant
Refractive Index	1.485
MDL	MFCD04125015

3-(TrifluoroMethyl)pyrazole-4-corboxylic acid - Risk and Safety

Hazard Symbols	T - Toxic
Risk Codes	25 - Toxic if swallowed
Safety Description	45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
UN IDs	UN 2811 6.1 / PGIII
WGK Germany	3

3-(TrifluoroMethyl)pyrazole-4-corboxylic acid - Introduction

5-(Trifluoromethyl)-acid is an organic compound with the chemical formula C6H3F3N2O2. The following is a description of its nature, use, preparation and safety information:

Nature:
1. Appearance: 5-(Trifluoromethyl)-acid is a colorless solid.
2. Melting point: The melting point is about 142-145 degrees Celsius.
3. solubility: it can be dissolved in common organic solvents.

Use:
5-(Trifluoromethyl)-acid is mainly used as catalyst, intermediate and ligand in organic synthesis. It can be used in the synthesis of various organic compounds, such as steroids, anti-tumor drugs and pesticides.

Preparation Method:
5-(Trifluoromethyl)-There are many preparation methods for acid, the most commonly used method is the following two steps:
1. First, pyrazol-4-one reacts with trifluoromethyl trifluoromethyl trifluoromethyl ketone to generate trifluoromethyl pyrazol-4-one.
2. Then the trifluoromethylpyrazol-4-one is subjected to ketone carboxylation reaction with nitric acid to generate 5-(Trifluoromethyl)-acid.

Safety Information:
With regard to the specific toxicity and safety information of 5-(Trifluoromethyl)-acid, due to the lack of sufficient research and reporting, there is currently insufficient data for reference. Therefore, when using this compound, it is recommended to take appropriate protective measures, and conduct personal protection and laboratory safety assessment according to the experimental conditions and usage. At the same time, the laboratory's safe operating procedures should be followed, and the handling, storage and disposal requirements of the relevant chemicals should be strictly observed.

Last Update：2024-04-09 21:54:55