3-Fluorobenzoylacetonitrile
3-Fluorobenzoylacetonitrile
CAS: 21667-61-8
Molecular Formula: C9H6FNO
3-Fluorobenzoylacetonitrile - Names and Identifiers
| Name | 3-Fluorobenzoylacetonitrile |
| Synonyms | 3-Fluorobenzoylacetonitrile 3-FLUOROBENZOYLACETONITRILE Benzenepropanenitrile, 3-fluoro-β-oxo- 3-Oxo-3-(3-fluorophenyl)propanenitrile 3-(3-Fluorophenyl)-3-oxopropanenitrile 3-(3-Fluoro-phenyl)-3-oxo-propionitrile 3-(3'-FLUOROPHENYL)-3-OXOPROPANENITRILE |
| CAS | 21667-61-8 |
| InChI | InChI=1/C9H6FNO/c10-8-3-1-2-7(6-8)9(12)4-5-11/h1-3,6H,4H2 |
3-Fluorobenzoylacetonitrile - Physico-chemical Properties
| Molecular Formula | C9H6FNO |
| Molar Mass | 163.15 |
| Density | 1?+-.0.06 g/cm3(Predicted) |
| Melting Point | 69-70 °C |
| Boling Point | 304.4±22.0 °C(Predicted) |
| Flash Point | 137.9°C |
| Vapor Presure | 0.000878mmHg at 25°C |
| pKa | 7.18±0.10(Predicted) |
| Storage Condition | 2-8℃ |
| Refractive Index | 1.516 |
3-Fluorobenzoylacetonitrile - Risk and Safety
| 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. |
3-Fluorobenzoylacetonitrile - Introduction
It is an organic compound with the chemical formula C8H4FNO and a molecular weight of 153.13g/mol. Its appearance is a colorless liquid with a strong pungent odor. The following is a description of the properties, uses, methods of manufacture and safety information:
Nature:
-Density: 1.23 g/mL
-Boiling point: 198-200 ° C
-Melting point:-10 ° C
-Flash point: 89 ° C
-Solubility: Insoluble in water, soluble in organic solvents such as alcohols, ethers and ketones.
Use:
-Ti can be used as an important intermediate in organic synthesis. It can be used in the synthesis of organic compounds containing aromatic acyl groups, such as pharmaceuticals, pesticides and dyes. It has high reactivity and selectivity, and is often used to prepare compounds with biological activity.
-Ti can also be used as a substrate for studying phosphine ligand catalysts and play an important role in metal-catalyzed reactions.
Method:
-There are a variety of synthetic methods. A common method is obtained by reacting benzoyl chloride with malononitrile in the presence of a base.
-In addition, it can be obtained by cyanation reaction using benzophenone and sodium hydrogen cyanide, and then fluorination reaction.
Safety Information:
-It is irritating and should avoid inhaling vapors and touching skin and eyes.
-In the process of use, should wear protective gloves, protective glasses and protective mask.
-In case of misuse or inadvertent contact, seek medical attention immediately and bring the packaging container or label.
-over is a harmful substance, should be stored away from fire, away from light, cool and dry place, away from easily combustible substances and oxidants.
-In the use and storage process, the need to comply with the relevant safety procedures.
Nature:
-Density: 1.23 g/mL
-Boiling point: 198-200 ° C
-Melting point:-10 ° C
-Flash point: 89 ° C
-Solubility: Insoluble in water, soluble in organic solvents such as alcohols, ethers and ketones.
Use:
-Ti can be used as an important intermediate in organic synthesis. It can be used in the synthesis of organic compounds containing aromatic acyl groups, such as pharmaceuticals, pesticides and dyes. It has high reactivity and selectivity, and is often used to prepare compounds with biological activity.
-Ti can also be used as a substrate for studying phosphine ligand catalysts and play an important role in metal-catalyzed reactions.
Method:
-There are a variety of synthetic methods. A common method is obtained by reacting benzoyl chloride with malononitrile in the presence of a base.
-In addition, it can be obtained by cyanation reaction using benzophenone and sodium hydrogen cyanide, and then fluorination reaction.
Safety Information:
-It is irritating and should avoid inhaling vapors and touching skin and eyes.
-In the process of use, should wear protective gloves, protective glasses and protective mask.
-In case of misuse or inadvertent contact, seek medical attention immediately and bring the packaging container or label.
-over is a harmful substance, should be stored away from fire, away from light, cool and dry place, away from easily combustible substances and oxidants.
-In the use and storage process, the need to comply with the relevant safety procedures.
Last Update：2024-04-09 02:00:44
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