6525-45-7
ethyl 2-cyanobenzoate
CAS: 6525-45-7
Molecular Formula: C10H9NO2
6525-45-7 - Names and Identifiers
| Name | ethyl 2-cyanobenzoate |
| Synonyms | ethyl 2-cyanobenzoate ETHYL 2-CYANOBENZOATE 97 2-Cyano-benzoic acid ethyl ester Benzoic acid, 2-cyano-, ethyl ester |
| CAS | 6525-45-7 |
| InChI | InChI=1/C10H9NO2/c1-2-13-10(12)9-6-4-3-5-8(9)7-11/h3-6H,2H2,1H3 |
6525-45-7 - Physico-chemical Properties
| Molecular Formula | C10H9NO2 |
| Molar Mass | 175.18 |
| Density | 1.14±0.1 g/cm3(Predicted) |
| Melting Point | 63-67°C(lit.) |
| Boling Point | 103-105 °C(Press: 0.1 Torr) |
| Flash Point | 143.4°C |
| Vapor Presure | 0.000676mmHg at 25°C |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.528 |
| MDL | MFCD03423595 |
6525-45-7 - Risk and Safety
| WGK Germany | 3 |
6525-45-7 - Introduction
Ethyl 2-cyanobenzoate(ethyl 2-cyanobenzoate) is an organic compound with a chemical formula of C10H9NO2 and a molecular weight of 179.18. The following is a detailed description of the properties, uses, preparation and safety information of the compound:
Nature:
-Appearance: Ethyl 2-cyanobenzoate is a white to light yellow crystal or crystalline powder.
-Solubility: It can be dissolved in common organic solvents, such as ethanol, dimethylformamide and ether solvents.
-Melting point: Its melting point is 73-75 degrees Celsius.
-Stability: The compound is relatively stable under conventional storage conditions.
Use:
- ethyl 2-cyanobenzoate is mainly used in drug synthesis. It is an important intermediate in the synthesis of some drugs and bioactive molecules. For example, it can be used to synthesize compounds containing benzodiazepine heterocyclic skeleton, which have a wide range of applications in the field of pharmaceutical research.
-In addition, it can also be used as a reagent for dyes and organic synthesis reactions.
Preparation Method:
Ethyl 2-cyanobenzoate has a variety of preparation methods. A common method is to use cyanomethane as a cyanation reagent and react with ethyl benzoate. The reaction conditions are generally under basic conditions at room temperature or with heating for several hours to several days.
Safety Information:
- ethyl 2-cyanobenzoate is an organic compound that requires appropriate safety measures when used, stored and handled.
-The substance may be irritating to the eyes, skin and respiratory system, so direct contact should be avoided when using.
-Wear protective glasses, gloves and protective clothing for operation and maintain a well-ventilated working environment.
-When disposing of waste, it should be disposed of in accordance with local regulations to avoid pollution to the environment.
Nature:
-Appearance: Ethyl 2-cyanobenzoate is a white to light yellow crystal or crystalline powder.
-Solubility: It can be dissolved in common organic solvents, such as ethanol, dimethylformamide and ether solvents.
-Melting point: Its melting point is 73-75 degrees Celsius.
-Stability: The compound is relatively stable under conventional storage conditions.
Use:
- ethyl 2-cyanobenzoate is mainly used in drug synthesis. It is an important intermediate in the synthesis of some drugs and bioactive molecules. For example, it can be used to synthesize compounds containing benzodiazepine heterocyclic skeleton, which have a wide range of applications in the field of pharmaceutical research.
-In addition, it can also be used as a reagent for dyes and organic synthesis reactions.
Preparation Method:
Ethyl 2-cyanobenzoate has a variety of preparation methods. A common method is to use cyanomethane as a cyanation reagent and react with ethyl benzoate. The reaction conditions are generally under basic conditions at room temperature or with heating for several hours to several days.
Safety Information:
- ethyl 2-cyanobenzoate is an organic compound that requires appropriate safety measures when used, stored and handled.
-The substance may be irritating to the eyes, skin and respiratory system, so direct contact should be avoided when using.
-Wear protective glasses, gloves and protective clothing for operation and maintain a well-ventilated working environment.
-When disposing of waste, it should be disposed of in accordance with local regulations to avoid pollution to the environment.
Last Update：2024-04-09 20:52:54
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CAS: 6525-45-7
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Mobile: 18021002903
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