113100-53-1
1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CAS: 113100-53-1
Molecular Formula: C6H5F3N2O2
113100-53-1 - Names and Identifiers
113100-53-1 - Physico-chemical Properties
| Molecular Formula | C6H5F3N2O2 |
| Molar Mass | 194.11 |
| Density | 1.56±0.1 g/cm3(Predicted) |
| Melting Point | 203 °C |
| Boling Point | 285.6±40.0 °C(Predicted) |
| Solubility | DMSO (Slightly), Methanol (Slightly) |
| Appearance | White to brown powder or crystal |
| Color | White to Off-White |
| pKa | 2.93±0.36(Predicted) |
| Storage Condition | Keep in dark place,Inert atmosphere,Room temperature |
| Sensitive | `sensitive` to heat, light and moisture |
| MDL | MFCD01936005 |
113100-53-1 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 2 |
| HS Code | 29331990 |
| Hazard Class | IRRITANT |
113100-53-1 - Introduction
1-Methyl-3-trifluoromethyl-1H-pyrazole-4-carboxylic acid, also known as TFP acid, is an organic compound. Its chemical formula is C5H3F3N2O2.
The compound has the following properties:
1. Appearance: Colorless crystalline solid.
2. melting point: about 67-69 ℃.
3. Boiling point: about 180-210 ℃.
4. Solubility: Soluble in most organic solvents, such as ethanol, ether, etc.
5. stability: unstable under strong alkali or high temperature conditions.
TFP acid has certain applications in chemical synthesis and drug research:
1. With carboxylic acid functional groups, it can be used for substrate activation, catalyst modification and construction of diversified chemical structures.
2 can be used as etherification agent, carboxylic acid activator and deprotection reagent.
3. It can be used to replace other acidic reagents in drug synthesis to improve the synthesis effect.
The preparation of TFP acid can be carried out by various methods, among which the common method is to react 1H-pyrazole-4-carboxylic acid with trifluoromethyl sulfone to obtain the product. The specific synthetic conditions and procedures will vary depending on the desired product or experimental conditions.
Regarding safety information, TFP acid is an organic compound with certain risks:
1. may be irritating to the skin, eyes and respiratory tract, contact should be avoided.
2. should be operated in a well-ventilated place to avoid inhalation of its vapor.
3. Use should wear appropriate personal protective equipment, such as protective gloves, protective glasses, etc.
4. In case of accidental inhalation, ingestion or contact with skin, rinse immediately with plenty of water and seek medical help.
The compound has the following properties:
1. Appearance: Colorless crystalline solid.
2. melting point: about 67-69 ℃.
3. Boiling point: about 180-210 ℃.
4. Solubility: Soluble in most organic solvents, such as ethanol, ether, etc.
5. stability: unstable under strong alkali or high temperature conditions.
TFP acid has certain applications in chemical synthesis and drug research:
1. With carboxylic acid functional groups, it can be used for substrate activation, catalyst modification and construction of diversified chemical structures.
2 can be used as etherification agent, carboxylic acid activator and deprotection reagent.
3. It can be used to replace other acidic reagents in drug synthesis to improve the synthesis effect.
The preparation of TFP acid can be carried out by various methods, among which the common method is to react 1H-pyrazole-4-carboxylic acid with trifluoromethyl sulfone to obtain the product. The specific synthetic conditions and procedures will vary depending on the desired product or experimental conditions.
Regarding safety information, TFP acid is an organic compound with certain risks:
1. may be irritating to the skin, eyes and respiratory tract, contact should be avoided.
2. should be operated in a well-ventilated place to avoid inhalation of its vapor.
3. Use should wear appropriate personal protective equipment, such as protective gloves, protective glasses, etc.
4. In case of accidental inhalation, ingestion or contact with skin, rinse immediately with plenty of water and seek medical help.
Last Update：2024-04-09 20:02:46
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