4-[bis(4-cyanophenyl)methyl]benzonitrile
4,4',4'-Methylidenetrisbenzonitrile
CAS: 113402-31-6
Molecular Formula: C22H13N3
4-[bis(4-cyanophenyl)methyl]benzonitrile - Names and Identifiers
| Name | 4,4',4'-Methylidenetrisbenzonitrile |
| Synonyms | impurityofLetrozole Letrozole EP Impurity B 4,44methyledenetrisbenzonitrile 4,4',4'-Methylidenetrisbenzonitrile 4,4',4''-Methylidynetrisbenzonitrile 4,4',4''-METHYLIDENETRISBENZONITRILE 4,4',4''-methylidenetrisbenzonitrile 4-[bis(4-cyanophenyl)methyl]benzonitrile 4,4',4''-Methylidynetrisbenzonitrile (Letrozole Impurity) 4,4',4 -METHYLIDENETRISBENZONITRILE(IMPURITY OF LETROZOLE) 4,4',4 -Methylidenetrisbenzonitrile(IMPURITY OF LETROZOLE) 4,4',4”-Methyledenetrisbenzonitrile ( Impurity of Letrozole ) 4,4',4''-Methyledenetrisbenzonitrile ( Impurity of Letrozole ) |
| CAS | 113402-31-6 |
| InChI | InChI=1/C22H13N3/c23-13-16-1-7-19(8-2-16)22(20-9-3-17(14-24)4-10-20)21-11-5-18(15-25)6-12-21/h1-12,22H |
4-[bis(4-cyanophenyl)methyl]benzonitrile - Physico-chemical Properties
| Molecular Formula | C22H13N3 |
| Molar Mass | 319.36 |
| Density | 1.24±0.1 g/cm3(Predicted) |
| Melting Point | 164-167°C |
| Boling Point | 545.6±50.0 °C(Predicted) |
| Flash Point | 262.2°C |
| Solubility | Chloroform (Slightly), Methanol (Sparingly) |
| Vapor Presure | 5.84E-12mmHg at 25°C |
| Appearance | Solid |
| Color | Off-White to Light Yellow |
| Storage Condition | Refrigerator |
| Refractive Index | 1.66 |
4-[bis(4-cyanophenyl)methyl]benzonitrile - Introduction
4,4 ',4'-methylene tribenzonitrile is a multifunctional organic compound, its chemical formula is C21H15N, the structure contains a tribenzonitrile group and a methylene bridge. The following are some information about the properties, uses, preparation and safety of this compound:
Nature:
-Appearance: 4,4 ',4'-Methylenetribenzonitrile is a white to pale yellow crystalline solid.
-Melting point: about 160-163°C.
-Solubility: The compound has high solubility in common organic solvents.
-Stability: It is relatively stable at room temperature.
Use:
-Polymer material: 4,4 ',4'-methylene tribenzonitrile can be used as one of the important raw materials for the synthesis of high-performance polymers. These polymers have excellent thermal stability and mechanical properties, so they are widely used in electronics, aerospace, automotive and other fields.
-Catalyst: It can also be used as an effective catalyst for various organic reactions, such as amination reaction, esterification reaction, etc.
Preparation Method:
The preparation method of 4,4 ',4'-methylene tribenzonitrile can be achieved by the following steps:
1. A cyanomethyl derivative of benzonitrile is obtained by reacting benzonitrile with hydrocyanic acid.
2. The cyanomethyl derivative is subjected to a condensation reaction with formaldehyde to form 4,4 ',4'-methylene tribenzonitrile.
Safety Information:
- 4,4 ',4'-Methylenetribenzonitrile will not ignite spontaneously under normal conditions, but may burn when heated or exposed to an open flame.
-Its dust or particles can cause mucosal irritation and eye burns, so you should wear appropriate personal protective equipment when using it.
-Avoid contact with strong oxidants or strong acids.
Nature:
-Appearance: 4,4 ',4'-Methylenetribenzonitrile is a white to pale yellow crystalline solid.
-Melting point: about 160-163°C.
-Solubility: The compound has high solubility in common organic solvents.
-Stability: It is relatively stable at room temperature.
Use:
-Polymer material: 4,4 ',4'-methylene tribenzonitrile can be used as one of the important raw materials for the synthesis of high-performance polymers. These polymers have excellent thermal stability and mechanical properties, so they are widely used in electronics, aerospace, automotive and other fields.
-Catalyst: It can also be used as an effective catalyst for various organic reactions, such as amination reaction, esterification reaction, etc.
Preparation Method:
The preparation method of 4,4 ',4'-methylene tribenzonitrile can be achieved by the following steps:
1. A cyanomethyl derivative of benzonitrile is obtained by reacting benzonitrile with hydrocyanic acid.
2. The cyanomethyl derivative is subjected to a condensation reaction with formaldehyde to form 4,4 ',4'-methylene tribenzonitrile.
Safety Information:
- 4,4 ',4'-Methylenetribenzonitrile will not ignite spontaneously under normal conditions, but may burn when heated or exposed to an open flame.
-Its dust or particles can cause mucosal irritation and eye burns, so you should wear appropriate personal protective equipment when using it.
-Avoid contact with strong oxidants or strong acids.
Last Update：2024-04-10 22:29:15
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