3-METHYLBENZYL ISOCYANATE Chemical Properties

Boiling point:

34-36 °C/0.1 mmHg (lit.)

Density 

1.052 g/mL at 25 °C (lit.)

refractive index 

n20/D 1.523(lit.)

Flash point:

225 °F

storage temp. 

2-8°C

InChI

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

InChIKey

JCUQBSLBFAVVOS-UHFFFAOYSA-N

SMILES

Cc1cccc(CN=C=O)c1

CAS DataBase Reference

61924-25-2(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xn

Risk Statements 

20/21/22-36/37/38

Safety Statements 

26-36

RIDADR 

UN 2206 6.1/PG 3

WGK Germany 

3

Storage Class

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects

Hazard Classifications

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Resp. Sens. 1
Skin Irrit. 2
Skin Sens. 1
STOT SE 3

MSDS

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

3-METHYLBENZYL ISOCYANATE Usage And Synthesis

Chemical Properties

clear colorless to yellow liquid

Uses

3-Methylbenzyl isocyanate, also known as 1-(isocyanatomethyl)-3-methylbenzene, is an organic building block containing an isocyanate group. Its vapor pressure has been reported.

General Description

3-Methylbenzyl isocyanate, also known as 1-(isocyanatomethyl)-3-methylbenzene, is an organic building block containing an isocyanate group. Its vapor pressure has been reported.

3-METHYLBENZYL ISOCYANATE(61924-25-2)Related Product Information

• Tetramethylammonium chloride
• Benzyl isocyanate
• 4-METHYLBENZYL ISOCYANATE
• 2-METHYLBENZYL ISOCYANATE
• 3-methylbenzoyl isocyanate
• 3-ISOPROPENYL-ALPHA,ALPHA-DIMETHYLBENZYL ISOCYANATE
• 3-METHYLBENZYL ISOCYANATE
• 1,3-Bis(isocyanatomethyl)benzene
• 1,3-BIS(2-ISOCYANATO-2-PROPYL)BENZENE