129768-28-1
5-TRIFLUOROMETHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID
CAS: 129768-28-1
Molecular Formula: C5H3F3N2O2
129768-28-1 - Names and Identifiers
129768-28-1 - Physico-chemical Properties
| Molecular Formula | C5H3F3N2O2 |
| Molar Mass | 180.08 |
| Density | 1.682±0.06 g/cm3(Predicted) |
| Melting Point | 171 - 172°C |
| Boling Point | 354.2±42.0 °C(Predicted) |
| Flash Point | 168°C |
| Solubility | DMSO (Slightly), Methanol (Slightly) |
| Vapor Presure | 1.26E-05mmHg at 25°C |
| Appearance | Solid |
| Color | White to Off-White |
| pKa | 3.55±0.10(Predicted) |
| Storage Condition | under inert gas (nitrogen or Argon) at 2-8°C |
| Refractive Index | 1.485 |
129768-28-1 - Risk and Safety
| Risk Codes | R22 - Harmful if swallowed R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | 36/37 - Wear suitable protective clothing and gloves. |
| HS Code | 29331990 |
| Hazard Class | IRRITANT |
129768-28-1 - Introduction
5-Trifluoromethylpyrazole-3-carboxylic acid (5-trifluoromethylpyrazole-3-carboxylic acid) is an organic compound. The following is an introduction to its nature, use, preparation and safety information.
Nature:
Chemical formula: C6H2F3N3O3
Molecular weight: 235.09g/mol
Appearance: White to light yellow crystalline powder
Melting point: 203-204°C
Solubility: Almost insoluble in water, slightly soluble in acid and alkali, soluble in organic solvents such as ethanol and dimethylformamide
Use:
5-Trifluoromethylpyrazole-3-carboxylic acid is a multifunctional intermediate, which has a wide range of applications in the field of drug synthesis and material science. It can be used in the preparation of antiviral drugs, pesticides and other biologically active compounds. In addition, it can also be used as a reagent in scientific research.
Preparation Method:
5-Trifluoromethylpyrazole-3-carboxylic acid can usually be synthesized by the following steps:
1. First, under alkaline conditions, 5-trifluoromethylpyrazole is reacted with dichloromethane to generate 5-trifluoromethylpyrazol-3-one.
2. Then, under acidic conditions, 5-trifluoromethylpyrazol-3-one is reacted with hydrocyanic acid to produce 5-trifluoromethylpyrazole-3-carbonitrile.
3. Finally, under strong alkaline conditions, 5-trifluoromethylpyrazole-3-carbonitrile is reacted with carbon monoxide and water to generate 5-trifluoromethylpyrazole-3-carboxylic acid.
Safety Information:
5-trifluoromethylpyrazole-3-carboxylic acid is relatively stable under general conditions, but contact with strong oxidants should be avoided to avoid moisture. Appropriate personal protective equipment should be worn during the operation and ensure that the operation is carried out in a well-ventilated laboratory. If you touch your skin or eyes by accident, rinse immediately with plenty of water and seek medical help.
Nature:
Chemical formula: C6H2F3N3O3
Molecular weight: 235.09g/mol
Appearance: White to light yellow crystalline powder
Melting point: 203-204°C
Solubility: Almost insoluble in water, slightly soluble in acid and alkali, soluble in organic solvents such as ethanol and dimethylformamide
Use:
5-Trifluoromethylpyrazole-3-carboxylic acid is a multifunctional intermediate, which has a wide range of applications in the field of drug synthesis and material science. It can be used in the preparation of antiviral drugs, pesticides and other biologically active compounds. In addition, it can also be used as a reagent in scientific research.
Preparation Method:
5-Trifluoromethylpyrazole-3-carboxylic acid can usually be synthesized by the following steps:
1. First, under alkaline conditions, 5-trifluoromethylpyrazole is reacted with dichloromethane to generate 5-trifluoromethylpyrazol-3-one.
2. Then, under acidic conditions, 5-trifluoromethylpyrazol-3-one is reacted with hydrocyanic acid to produce 5-trifluoromethylpyrazole-3-carbonitrile.
3. Finally, under strong alkaline conditions, 5-trifluoromethylpyrazole-3-carbonitrile is reacted with carbon monoxide and water to generate 5-trifluoromethylpyrazole-3-carboxylic acid.
Safety Information:
5-trifluoromethylpyrazole-3-carboxylic acid is relatively stable under general conditions, but contact with strong oxidants should be avoided to avoid moisture. Appropriate personal protective equipment should be worn during the operation and ensure that the operation is carried out in a well-ventilated laboratory. If you touch your skin or eyes by accident, rinse immediately with plenty of water and seek medical help.
Last Update：2024-04-09 21:01:54
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