4-FLUOROBENZYL ISOCYANATE Chemical Properties

Boiling point:

211 °C(lit.)

Density 

1.186 g/mL at 25 °C(lit.)

refractive index 

n20/D 1.505(lit.)

Flash point:

199 °F

storage temp. 

-20°C

form 

Liquid

color 

Colorless

Sensitive 

Lachrymatory

InChI

1S/C8H6FNO/c9-8-3-1-7(2-4-8)5-10-6-11/h1-4H,5H2

InChIKey

HHSIWJYERNCLKQ-UHFFFAOYSA-N

SMILES

Fc1ccc(CN=C=O)cc1

Safety Information

Hazard Codes 

Xn

Risk Statements 

20/21/22-36/37/38

Safety Statements 

26-36/37/39

RIDADR 

UN 2206 6.1/PG 3

WGK Germany 

3

HazardClass 

IRRITANT

HS Code 

29291090

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

4-FLUOROBENZYL ISOCYANATE Usage And Synthesis

Chemical Properties

Colorless liquid

Uses

4-Fluorobenzyl isocyanate may be used as a reagent in the synthesis of 3-oxo-1,1-diphenyl-tetrahydro-oxazolo[3,4-a]pyrazine-7-carboxylic acid 4-fluoro-benzylamide and (S)-2-(4-fluorobenzyl)-7-hydroxy-10,10a-dihydroimidazo[1,5-b]isoquinoline-1,3(2H,5H)-dione.

General Description

4-Fluorobenzyl isocyanate, also known as 1-fluoro-4-(isocyanatomethyl)benzene, is an organic building block containing an isocyanate group.

Synthesis

To a 100 mL round bottom flask was added benzylamine (4 mmol, 800 mg) and toluene (10 mL), triphosgene (5 mmol, 1.5 g) was added with stirring and the reaction was carried out at reflux for 4 hours. The solvent was removed by concentration, after which dichloromethane (5 mL) was added to give 3-diexamethylene Tsuen-1-propanamine.

4-FLUOROBENZYL ISOCYANATE(132740-43-3)Related Product Information

• Propylamine
• L-Alanyl-L-Glutamine
• METHYL 3-(MORPHOLIN-4-YLMETHYL)BENZOATE
• 2-FLUOROBENZYL ISOCYANATE
• 3-FLUOROBENZYL ISOCYANATE
• 4-FLUOROBENZYL ISOCYANATE
• (R)-1-(4-FLUOROPHENYL)ETHYL ISOCYANATE
• (S)-(-)-1-(4-FLUOROPHENYL)ETHYL ISOCYANATE
• METHYL-3-ISOCYANATO-3-(4-FLUOROPHENYL)PROPIONATE
• METHYL 4-FLUOROPHENYL-2-ISOCYANATOACETATE
• 3-BROMO-4-FLUORO-ISOCYANATOMETHYLBENZENE
• 4-Fluorobenzoyl isocyanate