1-Methyl-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-ol
CAS: 1119022-51-4
Molecular Formula: C5H5F3N2O
1-Methyl-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one - Names and Identifiers
| Name | 1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-ol |
| Synonyms | TIMTEC-BB SBB000154 1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-ol 1H-Pyrazol-3-ol, 1-methyl-5-(trifluoromethyl)- 3-HYDROXY-1-METHYL-5-(TRIFLUOROMETHYL)PYRAZOLE 5-HYDROXY-2-METHYL-3-TRIFLUOROMETHYL-1H-PYRAZOLE 3-HYDROXY-1-METHYL-5-TRIFLUOROMETHYL-1H-PYRAZOLE 1-Methyl-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one |
| CAS | 1119022-51-4 |
| EINECS | 622-911-8 |
| InChI | InChI=1S/C5H5F3N2O/c1-10-3(5(6,7)8)2-4(11)9-10/h2H,1H3,(H,9,11) |
1-Methyl-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one - Physico-chemical Properties
| Molecular Formula | C5H5F3N2O |
| Molar Mass | 166.1 |
| Density | 1.3876 (estimate) |
| Melting Point | 114-115 °C |
| BRN | 3543409 |
| pKa | 7.35±0.70(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
1-Methyl-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R25 - Toxic if swallowed |
| Safety Description | S24/25 - Avoid contact with skin and eyes. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| UN IDs | UN 2811 6.1 / PGIII |
| WGK Germany | 3 |
| Hazard Class | IRRITANT |
1-Methyl-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one - Introduction
3-Hydroxy-1-methyl-5-trifluoromethyl-1H-pyrazole (abbreviated as TFP) is an organic compound with the following properties:
1. Appearance: TFP is a white crystalline solid.
2. Solubility: TFP is soluble in a variety of organic solvents, such as ethers, ketones and chlorinated hydrocarbons, but its solubility in water is low.
3. Stability: TFP is stable at room temperature, but it will be decomposed by heat.
The main uses of TFP are as follows:
1. Reagent: TFP can be used as a reagent in organic synthesis reactions to introduce trifluoromethyl groups.
2. Protecting group: TFP can be used as a protecting group for hydroxyl groups to prevent them from being undesirably changed in the reaction.
3. pesticide intermediates: TFP is an important intermediate for the synthesis of pesticides.
The preparation of TFP is generally carried out through the following steps:
1. Synthesis of difluoromethanoyl chloride (DFF): difluoroformic acid was reacted with thionyl chloride to generate difluoromethanoyl chloride.
2. Synthesis of TFP: TFP was obtained by reacting difluoromethylchloride with pyrazole and methanol.
When using TFP, you need to pay attention to its security information:
1. Wear appropriate personal protective equipment, such as lab gloves, goggles and protective clothing.
2. avoid contact with skin and eyes, if there is contact should immediately rinse with plenty of water.
3. try to avoid inhalation of its vapor, to ensure that the operation in a well-ventilated place.
4. TFP is irritating and should not be exposed to it for a long time.
5. Waste disposal shall be carried out in accordance with relevant laws and regulations.
1. Appearance: TFP is a white crystalline solid.
2. Solubility: TFP is soluble in a variety of organic solvents, such as ethers, ketones and chlorinated hydrocarbons, but its solubility in water is low.
3. Stability: TFP is stable at room temperature, but it will be decomposed by heat.
The main uses of TFP are as follows:
1. Reagent: TFP can be used as a reagent in organic synthesis reactions to introduce trifluoromethyl groups.
2. Protecting group: TFP can be used as a protecting group for hydroxyl groups to prevent them from being undesirably changed in the reaction.
3. pesticide intermediates: TFP is an important intermediate for the synthesis of pesticides.
The preparation of TFP is generally carried out through the following steps:
1. Synthesis of difluoromethanoyl chloride (DFF): difluoroformic acid was reacted with thionyl chloride to generate difluoromethanoyl chloride.
2. Synthesis of TFP: TFP was obtained by reacting difluoromethylchloride with pyrazole and methanol.
When using TFP, you need to pay attention to its security information:
1. Wear appropriate personal protective equipment, such as lab gloves, goggles and protective clothing.
2. avoid contact with skin and eyes, if there is contact should immediately rinse with plenty of water.
3. try to avoid inhalation of its vapor, to ensure that the operation in a well-ventilated place.
4. TFP is irritating and should not be exposed to it for a long time.
5. Waste disposal shall be carried out in accordance with relevant laws and regulations.
Last Update：2024-04-09 21:21:28
