Methyl 4-(cyanomethyl)benzoate
4-Cyanomethylbenzoic acid methyl ester
CAS: 76469-88-0
Molecular Formula: C10H9NO2
Methyl 4-(cyanomethyl)benzoate - Names and Identifiers
| Name | 4-Cyanomethylbenzoic acid methyl ester |
| Synonyms | Methyl α-Cyano-p-toluate Methyl p-(CyanoMethyl)benzoate METHYL 4-(CYANOMETHYL)BENZOATE Methyl 4-(cyanomethyl)benzoate α-Cyano-p-toluic Acid Methyl Ester 4-Cyanomethylbenzoic acid methyl ester 4-CYANOMETHYLBENZOIC ACID METHYL ESTER [p-(Methoxycarbonyl)phenyl]acetonitrile 4-(Methoxycarbonyl)phenylacetonitrile, 4-(Methoxycarbonyl)benzyl cyanide |
| CAS | 76469-88-0 |
| InChI | InChI=1/C10H9NO2/c1-13-10(12)9-4-2-8(3-5-9)6-7-11/h2-5H,6H2,1H3 |
| InChIKey | XRZGMNGGCZTNGE-UHFFFAOYSA-N |
Methyl 4-(cyanomethyl)benzoate - Physico-chemical Properties
| Molecular Formula | C10H9NO2 |
| Molar Mass | 175.18 |
| Density | 1.141±0.06 g/cm3(Predicted) |
| Melting Point | 55-58°C(lit.) |
| Boling Point | 110°C0.2mm Hg(lit.) |
| Flash Point | 145.9°C |
| Vapor Presure | 0.000513mmHg at 25°C |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.53 |
| MDL | MFCD00060695 |
Methyl 4-(cyanomethyl)benzoate - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| 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 - Wear suitable protective clothing. |
| WGK Germany | 3 |
Methyl 4-(cyanomethyl)benzoate - Introduction
4-Cyanomethylbenzoic acid ester(4-Cyanomethylbenzoic acid ester) is an organic compound with the chemical formula of C10H9NO2. The following is a description of its nature, use, preparation and safety information:
Nature:
-Appearance: 4-Cyanomethylbenzoic acid methyl ester is a white crystalline solid.
-Melting point: Its melting point range is 75-78 degrees Celsius.
-Solubility: It is soluble in organic solvents (such as methanol, ethanol, chloroform), but almost insoluble in water.
-Chemical properties: 4-Cyanomethylbenzoic acid methyl ester can produce p-cyanomethylbenzoic acid through hydrolysis reaction, and can also undergo acylation reaction to generate other compounds.
Use:
-Chemical synthesis: 4-Cyanomethylbenzoic acid methyl ester can be used as an important intermediate in organic synthesis and is widely used in the production of drugs, pesticides and other compounds.
-Functional materials: It can also be used to synthesize functional materials, such as coatings, dyes and luminescent materials.
-Cosmetics: 4-Cyanomethylbenzoic acid methyl ester can also be used in the cosmetics industry.
Preparation Method:
4-Cyanomethylbenzoic acid methyl ester has many preparation methods, the following is one of the common preparation methods:
Methyl p-methylenebenzoate and sodium cyanide are reacted under alkaline conditions to obtain a reaction product. Then through the acidification reaction, the final product, namely 4-Cyanomethylbenzoic acid methyl ester, is obtained.
Safety Information:
4-Cyanomethylbenzoic acid methyl ester is a chemical substance. Pay attention to the following safety precautions when using it:
-Avoid inhaling, swallowing or touching skin and eyes. Immediately after contact, flush the affected area with clean water.
-Wear appropriate protective gloves and eye/face protection during use.
-It should be used in a well-ventilated place and avoid dust or mist in the air.
-Avoid contact with strong oxidants and strong acids during storage.
-Before involving mass production and use, please consult the safety data sheet and follow the relevant safety operating procedures.
Please note that the information provided above is based on known literature and does not represent a complete or comprehensive description of the 4-Cyanomethylbenzoic acid methyl ester. When using and handling this compound, please use caution and follow laboratory safety regulations on a case-by-case basis.
Nature:
-Appearance: 4-Cyanomethylbenzoic acid methyl ester is a white crystalline solid.
-Melting point: Its melting point range is 75-78 degrees Celsius.
-Solubility: It is soluble in organic solvents (such as methanol, ethanol, chloroform), but almost insoluble in water.
-Chemical properties: 4-Cyanomethylbenzoic acid methyl ester can produce p-cyanomethylbenzoic acid through hydrolysis reaction, and can also undergo acylation reaction to generate other compounds.
Use:
-Chemical synthesis: 4-Cyanomethylbenzoic acid methyl ester can be used as an important intermediate in organic synthesis and is widely used in the production of drugs, pesticides and other compounds.
-Functional materials: It can also be used to synthesize functional materials, such as coatings, dyes and luminescent materials.
-Cosmetics: 4-Cyanomethylbenzoic acid methyl ester can also be used in the cosmetics industry.
Preparation Method:
4-Cyanomethylbenzoic acid methyl ester has many preparation methods, the following is one of the common preparation methods:
Methyl p-methylenebenzoate and sodium cyanide are reacted under alkaline conditions to obtain a reaction product. Then through the acidification reaction, the final product, namely 4-Cyanomethylbenzoic acid methyl ester, is obtained.
Safety Information:
4-Cyanomethylbenzoic acid methyl ester is a chemical substance. Pay attention to the following safety precautions when using it:
-Avoid inhaling, swallowing or touching skin and eyes. Immediately after contact, flush the affected area with clean water.
-Wear appropriate protective gloves and eye/face protection during use.
-It should be used in a well-ventilated place and avoid dust or mist in the air.
-Avoid contact with strong oxidants and strong acids during storage.
-Before involving mass production and use, please consult the safety data sheet and follow the relevant safety operating procedures.
Please note that the information provided above is based on known literature and does not represent a complete or comprehensive description of the 4-Cyanomethylbenzoic acid methyl ester. When using and handling this compound, please use caution and follow laboratory safety regulations on a case-by-case basis.
Last Update：2024-04-09 15:17:59
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