4-Methoxybenzyl isocyanate Chemical Properties

Boiling point:

60-66 °C/0.6 mmHg (lit.)

Density 

1.143 g/mL at 25 °C (lit.)

refractive index 

n20/D 1.433(lit.)

Flash point:

>230 °F

storage temp. 

2-8°C

InChI

InChI=1S/C9H9NO2/c1-12-9-4-2-8(3-5-9)6-10-7-11/h2-5H,6H2,1H3

InChIKey

QRBHVARIMDDOOV-UHFFFAOYSA-N

SMILES

C1(CN=C=O)=CC=C(OC)C=C1

CAS DataBase Reference

56651-60-6(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xn,Xi

Risk Statements 

20/21/22-36/37/38-42

Safety Statements 

26-36/37/39-37/39

RIDADR 

UN 2206PSN1B 6.1 / PGIII

WGK Germany 

3

HazardClass 

IRRITANT

HS Code 

29291090

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS

4-Methoxybenzyl isocyanate Usage And Synthesis

Chemical Properties

clear colourless to yellow liquid

Uses

4-Methoxybenzyl isocyanate (p-Methoxybenzyl isocyanate) may be used in the synthesis of 1-(4-methoxybenzyl)-3-{2-[(4-nitrophenyl)amino]ethyl}urea and 1-(4-methoxybenzyl)-3-{2-[(5-nitropyridin-2-yl)amino]ethyl} urea.
It may be used in the multi-step synthesis of:

• diimidazodiazepine containing 5:7:5-fused heterocycle
• 2-deoxy-2-ureido-D-ribo-hexulofuranosonamide
• bicyclic guanidine core of batzelladine A

General Description

4-Methoxybenzyl isocyanate (PMBNCO), also known as p-methoxybenzyl isocyanate, is an organic building block containing an isocyanate group. Its enthalpy of vaporization at boiling point has been reported.

4-Methoxybenzyl isocyanate(56651-60-6)Related Product Information

• Benzyl isocyanate
• Isocyanatocyclohexane
• ISOCYANIC ACID
• Chlorosulfonyl isocyanate
• Propyl isocyanate
• ISOCYANATE
• 2-METHOXYBENZYL ISOCYANATE 97
• 3-METHOXYBENZYL ISOCYANATE 97
• 3,4-Dimethoxybenzyl isocyanate
• 5-(ISOCYANATOMETHYL)-1,3-BENZODIOXOLE
• 2 4-DIMETHOXYBENZYL ISOCYANATE 97
• 3 4 5-TRIMETHOXYBENZYL ISOCYANATE 97
• 4-Methoxybenzyl isocyanate
• (R)-1-(4-METHOXYPHENYL)ETHYL ISOCYANATE
• (S)-(-)-1-(4-METHOXYPHENYL)ETHYL ISOCYANATE
• 2-METHOXYBENZYL ISOCYANATE
• 3-METHOXYBENZYL ISOCYANATE
• METHYL-3-ISOCYANATO-3-(4-BENZYLOXYPHENYL) PROPIONATE