56651-57-1

Basic information

• Product Name: 4-Methylbenzyl isocyanate
• Synonyms: 4-METHYLBENZYL ISOCYANATE;4-Methylbenzyl;4-METHYLBENZYL ISOCYANATE 97%;1-(isocyanatomethyl)-4-methylbenzene;4-Methylbenzyl isocyanate,97%;4-Methylbenzyl isocyanate ,98%;Benzene, 1-isocyanatomethyl-4-methyl-
• CAS NO: 56651-57-1
• Molecular Formula: C₉H₉NO
• Molecular Weight: 147.17
• Product Categories: Isocyanates;Nitrogen Compounds;Organic Building Blocks
• Mol File: 56651-57-1.mol
• Article Data: 13

Chemical Properties

• Boiling Point: 55 °C0.5 mm Hg(lit.)
• Flash Point: 215 °F
• Appearance: Clear colorless to yellow/Liquid
• Density: 1.052 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.11mmHg at 25°C
• Refractive Index: n20/D 1.522(lit.)
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 4-Methylbenzyl isocyanate(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Methylbenzyl isocyanate(56651-57-1)
• EPA Substance Registry System: 4-Methylbenzyl isocyanate(56651-57-1)

Safety Data

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38-42
• Safety Statements: 26-36/37/39
• RIDADR: 2206
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 56651-57-1(Hazardous Substances Data)

Usage

Description

4-Methylbenzyl isocyanate, also known as p-methylbenzyl isocyanate, is an organic building block that features an isocyanate group. It is characterized by its clear colorless to yellow liquid appearance and has been noted for its vapor pressure properties.

Uses

Used in Organic Synthesis:
4-Methylbenzyl isocyanate is used as a reactant in organic synthesis for its ability to participate in various chemical reactions, contributing to the formation of a wide range of compounds.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 4-Methylbenzyl isocyanate is utilized as a building block for the development of new drugs, thanks to its reactive isocyanate group which can be incorporated into complex molecular structures.
Used in Chemical Research:
4-Methylbenzyl isocyanate is also employed in chemical research, where its unique properties are studied and leveraged to understand various reaction mechanisms and to develop innovative chemical processes.
Used in Material Science:
Within the field of material science, 4-Methylbenzyl isocyanate is used as a component in the creation of novel materials, potentially enhancing their properties or providing new functionalities due to its isocyanate reactivity.

InChI:InChI=1/C9H9NO/c1-8-2-4-9(5-3-8)6-10-7-11/h2-5H,6H2,1H3

Upstream product

• 7093-91-6 chloromethyl isocyanate 
• 108-88-3 toluene 
• 6212-86-8 2-(p-tolyl)acetamide 
• 530-62-1 1,1'-carbonyldiimidazole 
• 104-84-7 para-methylbenzylamine 
• 75-44-5 phosgene 
• 32315-10-9 bis(trichloromethyl) carbonate 
• 622-47-9 4-tolylacetic acid 
• 35675-44-6 4-methylphenylacetyl chloride 

Downstream Products

• 92277-80-0 1-(4-Chloro-phenyl)-3-(4-methyl-benzyl)-urea 
• 92277-72-0 (4-Methyl-benzyl)-carbamic acid 2-diethylamino-ethyl ester 
• 1165760-92-8 (4-methyl)-benzylcarbamic acid 4-(4,5-dihydrooxazol-2-yl)phenyl ester 
• 1165760-80-4 (4-methyl)-benzylcarbamic acid 4-(4,5-dihydrothiazol-2-yl)phenyl ester 
• 1338065-19-2 1-(3-oxo-4H-1,4-benzoxazin-8-yl)-3-(p-tolylmethyl)urea 
• 1338064-55-3 1-(4-methylbenzyl)-3-(2,3-dihydro-2-oxo-1H-benzo[d]imidazol-4-yl)urea 
• 91012-04-3 methyl N-(4-methylbenzyl)carbamate 
• 1401354-84-4 C₂₅H₂₉NO₃ 
• 1401354-97-9 C₂₅H₂₉NO₃ 
• 1152879-86-1 N-(4-methylbenzyl)hydrazinecarboxamide 
• 57198-45-5 1,3,5-tris-(4-methyl-benzyl)-[1,3,5]triazinane-2,4,6-trione 

Relevant articles and documents

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