3-oxobutanenitrile
3-oxobutyronitrile
CAS: 2469-99-0
Molecular Formula: C4H5NO
3-oxobutanenitrile - Names and Identifiers
| Name | 3-oxobutyronitrile |
| Synonyms | ACETOACETONITRILE 3-oxobutyronitrile 3-oxobutanenitrile Butanenitrile, 3-oxo- 1-(2,4-Dimethyl-5-{[4-(methylamino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]amino}benzyl)-1,1-dimethylhydrazinium chloride |
| CAS | 2469-99-0 |
| EINECS | 219-590-8 |
| InChI | InChI=1/C4H5NO/c1-4(6)2-3-5/h2H2,1H3 |
3-oxobutanenitrile - Physico-chemical Properties
| Molecular Formula | C4H5NO |
| Molar Mass | 83.09 |
| Density | 0.976±0.06 g/cm3(Predicted) |
| Boling Point | 92-94℃/10mm |
| Flash Point | 28.5°C |
| Water Solubility | Slightly soluble in water. |
| Vapor Presure | 13.3mmHg at 25°C |
| Appearance | Liquid |
| Color | Colorless to pale yellow |
| pKa | 10.31±0.10(Predicted) |
| Storage Condition | Inert atmosphere,Store in freezer, under -20°C |
| Refractive Index | 1.4285 |
3-oxobutanenitrile - Risk and Safety
| UN IDs | 3276 |
| Hazard Class | 6.1 |
| Packing Group | Ⅲ |
3-oxobutanenitrile - Introduction
3-oxoputyronitril, chemical formula C4H5NO, is an organic compound. The following is a description of the nature, use, formulation and safety information of 3-oxobutyronitril:
Nature:
1. Appearance: 3-oxobutyronitril is a colorless liquid or crystalline solid.
2. Solubility: soluble in water, alcohol and ether.
3. Melting Point:-14 ℃.
4. Boiling point: 119-120 ℃.
5. Density: 1.011g/cm³.
Use:
1. 3-oxobutyrronitril can be used as an intermediate in organic synthesis.
2. It can be used to prepare organic compounds such as medicines, pesticides and dyes.
3. It can also be used for organic synthesis reactions in research and laboratories.
Method:
The preparation method of 3-oxobutyrronitril is usually through the following routes:
1. Starting from acetone, sodium cyanide and I propyl magnesium bromide are first reacted to obtain SEC-butanol.
2. 3-oxobutyronitril is formed by condensation of SEC-butanol with ammonia.
Safety Information:
1. 3-Oxobutyrronitril is an organic compound with certain toxicity. Care should be taken to prevent inhalation, swallowing or contact with skin, eyes and clothing.
2. When operating and storing 3-oxobutyronitril, avoid contact with fire sources and oxidants to prevent fire and explosion.
3. When using 3-oxobutyronitril, you should operate in a well-ventilated place and wear appropriate personal protective equipment, such as protective glasses, gloves and respiratory protection equipment.
4. In case of accidental contact with 3-oxobutyronitril, rinse the affected parts with plenty of water immediately and seek medical attention in time.
Nature:
1. Appearance: 3-oxobutyronitril is a colorless liquid or crystalline solid.
2. Solubility: soluble in water, alcohol and ether.
3. Melting Point:-14 ℃.
4. Boiling point: 119-120 ℃.
5. Density: 1.011g/cm³.
Use:
1. 3-oxobutyrronitril can be used as an intermediate in organic synthesis.
2. It can be used to prepare organic compounds such as medicines, pesticides and dyes.
3. It can also be used for organic synthesis reactions in research and laboratories.
Method:
The preparation method of 3-oxobutyrronitril is usually through the following routes:
1. Starting from acetone, sodium cyanide and I propyl magnesium bromide are first reacted to obtain SEC-butanol.
2. 3-oxobutyronitril is formed by condensation of SEC-butanol with ammonia.
Safety Information:
1. 3-Oxobutyrronitril is an organic compound with certain toxicity. Care should be taken to prevent inhalation, swallowing or contact with skin, eyes and clothing.
2. When operating and storing 3-oxobutyronitril, avoid contact with fire sources and oxidants to prevent fire and explosion.
3. When using 3-oxobutyronitril, you should operate in a well-ventilated place and wear appropriate personal protective equipment, such as protective glasses, gloves and respiratory protection equipment.
4. In case of accidental contact with 3-oxobutyronitril, rinse the affected parts with plenty of water immediately and seek medical attention in time.
Last Update：2024-04-09 02:00:44
