3-Methylbenzyl isocyanate
3-Methylbenzyl isocyanate
CAS: 61924-25-2
Molecular Formula: C9H9NO
3-Methylbenzyl isocyanate - Names and Identifiers
| Name | 3-Methylbenzyl isocyanate |
| Synonyms | 3-Methbenzylisocyanate 3-Methylbenzyl isocyanate 3-METHYLBENZYL ISOCYANATE 1-(isocyanatomethyl)-3-methylbenzene Benzene, 1-(isocyanatomethyl)-3-methyl- benzene, 1-(isocyanatomethyl)-3-methyl- |
| CAS | 61924-25-2 |
| InChI | InChI=1/C9H9NO/c1-8-3-2-4-9(5-8)6-10-7-11/h2-5H,6H2,1H3 |
3-Methylbenzyl isocyanate - Physico-chemical Properties
| Molecular Formula | C9H9NO |
| Molar Mass | 147.17 |
| Density | 1.052 g/mL at 25 °C (lit.) |
| Boling Point | 34-36 °C/0.1 mmHg (lit.) |
| Flash Point | 225°F |
| Vapor Presure | 0.114mmHg at 25°C |
| Storage Condition | 2-8°C |
| Refractive Index | n20/D 1.523(lit.) |
3-Methylbenzyl isocyanate - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R36/37/38 - 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. |
| UN IDs | UN 2206 6.1/PG 3 |
| WGK Germany | 3 |
3-Methylbenzyl isocyanate - Introduction
3-Methylbenzyl isocyanate is an organic compound with the chemical formula C9H9NO. It is a colorless liquid with a strong pungent odor. The following is a detailed description of the nature, use, preparation and safety information of the 3-Methylbenzyl isocyanate:
Nature:
-Appearance: colorless liquid
-Molecular weight: 147.17g/mol
-Boiling point: about 215-217 ℃
-Density: 1.03 g/mL
-Melting point:-50 ℃
-Stability: stable, but susceptible to moisture and oxidation
Use:
-As an important intermediate in organic synthesis, it can be used to prepare drugs, dyes, pesticides and other compounds.
-In organic synthesis, 3-Methylbenzyl isocyanate can be used to introduce benzyl and cyano groups.
-As a synthetic raw material for surfactants.
-Used as a reactive diluent in the coatings and resin industries.
Preparation Method:
A commonly used method for preparing 3-Methylbenzyl isocyanate is to react benzyl cyanide with methyl chloride to obtain cyanobenzyl methane, and then react it with carbamate under alkaline conditions to obtain the target product. Specific steps are as follows:
1. Benzyl cyanide reacts with methyl chloride to obtain cyanobenzyl methane.
2. Cyanobenzylmethane reacts with carbamate under alkaline conditions to generate 3-Methylbenzyl isocyanate.
The preparation process requires certain chemical knowledge and experimental techniques, and the operation needs to follow safety regulations.
Safety Information:
- 3-Methylbenzyl isocyanate is an irritant substance. Contact with skin and eyes may cause burning and irritation. Direct contact should be avoided.
-Inhalation of high concentrations of vapor or gas can cause respiratory system irritation and damage, and should be operated in a well-ventilated environment.
-During transportation and storage, keep away from fire and high temperature to prevent contact with oxidants and strong acids.
-Wear appropriate personal protective equipment such as protective gloves, goggles or face shield during use or handling.
-Before use, please read the relevant safety information and operating instructions, strictly abide by the operating procedures.
Nature:
-Appearance: colorless liquid
-Molecular weight: 147.17g/mol
-Boiling point: about 215-217 ℃
-Density: 1.03 g/mL
-Melting point:-50 ℃
-Stability: stable, but susceptible to moisture and oxidation
Use:
-As an important intermediate in organic synthesis, it can be used to prepare drugs, dyes, pesticides and other compounds.
-In organic synthesis, 3-Methylbenzyl isocyanate can be used to introduce benzyl and cyano groups.
-As a synthetic raw material for surfactants.
-Used as a reactive diluent in the coatings and resin industries.
Preparation Method:
A commonly used method for preparing 3-Methylbenzyl isocyanate is to react benzyl cyanide with methyl chloride to obtain cyanobenzyl methane, and then react it with carbamate under alkaline conditions to obtain the target product. Specific steps are as follows:
1. Benzyl cyanide reacts with methyl chloride to obtain cyanobenzyl methane.
2. Cyanobenzylmethane reacts with carbamate under alkaline conditions to generate 3-Methylbenzyl isocyanate.
The preparation process requires certain chemical knowledge and experimental techniques, and the operation needs to follow safety regulations.
Safety Information:
- 3-Methylbenzyl isocyanate is an irritant substance. Contact with skin and eyes may cause burning and irritation. Direct contact should be avoided.
-Inhalation of high concentrations of vapor or gas can cause respiratory system irritation and damage, and should be operated in a well-ventilated environment.
-During transportation and storage, keep away from fire and high temperature to prevent contact with oxidants and strong acids.
-Wear appropriate personal protective equipment such as protective gloves, goggles or face shield during use or handling.
-Before use, please read the relevant safety information and operating instructions, strictly abide by the operating procedures.
Last Update：2024-04-09 02:00:47
