4-(1H-pyrazol-4-yl)benzonitrile
4-(1H-pyrazol-4-yl)benzonitrile
CAS: 1101167-56-9
Molecular Formula: C10H7N3
4-(1H-pyrazol-4-yl)benzonitrile - Names and Identifiers
| Name | 4-(1H-pyrazol-4-yl)benzonitrile |
| Synonyms | 4-(1H-pyrazol-4-yl)benzonitrile Benzonitrile, 4-(1H-pyrazol-4-yl)- |
| CAS | 1101167-56-9 |
| InChI | InChI=1S/C10H7N3/c11-5-8-1-3-9(4-2-8)10-6-12-13-7-10/h1-4,6-7H,(H,12,13) |
4-(1H-pyrazol-4-yl)benzonitrile - Physico-chemical Properties
| Molecular Formula | C10H7N3 |
| Molar Mass | 169.18 |
| Density | 1.27±0.1 g/cm3(Predicted) |
| Melting Point | 139-140 °C |
| Boling Point | 423.8±38.0 °C(Predicted) |
| pKa | 12.82±0.50(Predicted) |
4-(1H-pyrazol-4-yl)benzonitrile - Introduction
4-(1H-pyrazol-4-yl) benzonitrile is an organic compound with the chemical formula C11H8N2. It has some of the following properties:
1. Appearance and properties: 4-(1H-pyrazol-4-yl) benzonitrile is a colorless to pale yellow crystalline powder.
2. solubility: it is insoluble in water, soluble in organic solvents such as ethanol, dichloromethane and dimethyl sulfoxide.
3. melting point: its melting point is 81-83 degrees Celsius.
4. Use: 4-(1H-pyrazol-4-yl) benzonitrile is often used as an intermediate in organic synthesis. It can be used in the synthesis of drugs, dyes and functional compounds.
5. Preparation method: A common preparation method of 4-(1H-pyrazol-4-yl) benzonitrile is obtained by reacting p-nitrobenzonitrile with hydrazine hydrate. First, p-nitrobenzonitrile reacts with hydrazine hydrate under basic conditions to give 4-amino -1-phenyl -1H-pyrazole. The 4-amino -1-phenyl -1H-pyrazole is then dehydrated and converted to 4-(1H-pyrazol-4-yl) benzonitrile under acidic conditions.
6. safety information: 4-(1H-pyrazol-4-yl) benzonitrile has a certain toxicity, may have a stimulating effect on the human body. Appropriate personal protective equipment should be worn during handling and care should be taken to avoid contact with skin, eyes and respiratory tract. When in use, it is necessary to operate in a well-ventilated place.
1. Appearance and properties: 4-(1H-pyrazol-4-yl) benzonitrile is a colorless to pale yellow crystalline powder.
2. solubility: it is insoluble in water, soluble in organic solvents such as ethanol, dichloromethane and dimethyl sulfoxide.
3. melting point: its melting point is 81-83 degrees Celsius.
4. Use: 4-(1H-pyrazol-4-yl) benzonitrile is often used as an intermediate in organic synthesis. It can be used in the synthesis of drugs, dyes and functional compounds.
5. Preparation method: A common preparation method of 4-(1H-pyrazol-4-yl) benzonitrile is obtained by reacting p-nitrobenzonitrile with hydrazine hydrate. First, p-nitrobenzonitrile reacts with hydrazine hydrate under basic conditions to give 4-amino -1-phenyl -1H-pyrazole. The 4-amino -1-phenyl -1H-pyrazole is then dehydrated and converted to 4-(1H-pyrazol-4-yl) benzonitrile under acidic conditions.
6. safety information: 4-(1H-pyrazol-4-yl) benzonitrile has a certain toxicity, may have a stimulating effect on the human body. Appropriate personal protective equipment should be worn during handling and care should be taken to avoid contact with skin, eyes and respiratory tract. When in use, it is necessary to operate in a well-ventilated place.
Last Update：2024-04-09 21:01:54
