BENZOYL ISOCYANATE Chemical Properties

Melting point:

25.9°C

Boiling point:

94-96 °C21 mm Hg(lit.)

Density 

1.171 g/mL at 25 °C(lit.)

refractive index 

n20/D 1.5514(lit.)

Flash point:

162 °F

storage temp. 

-20°C

form 

Solid

color 

Clear to hazy colorlessor white

Sensitive 

Moisture Sensitive

BRN 

878595

InChI

1S/C8H5NO2/c10-6-9-8(11)7-4-2-1-3-5-7/h1-5H

InChIKey

LURYMYITPCOQAU-UHFFFAOYSA-N

SMILES

O=C=NC(=O)c1ccccc1

CAS DataBase Reference

4461-33-0

Safety Information

Hazard Codes 

Xn

Risk Statements 

20/21/22-36/37/38

Safety Statements 

26-27-28-36/37/39

RIDADR 

UN 2206 6.1/PG 3

WGK Germany 

3

HazardClass 

6.1

PackingGroup 

II

HS Code 

29291000

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
• Language:English Provider:ALFA

BENZOYL ISOCYANATE Usage And Synthesis

Chemical Properties

clear colourless liquid

Uses

Benzoyl isocyanate was used as a capping reagent for low-reactivity hydroxy groups in the solid-phase-supported oligosaccharide synthesis.

General Description

The reaction mechanism of benzoyl isocyanate with 6-benzyl-6-azabicyclo[2.2.1]hept-2-ene was studied.

Synthesis

In a four-necked flask equipped with a mechanical stirrer, thermometer, constant-pressure dropping funnel, and reflux condenser tube, 2.97 g of bis(trichloromethyl)carbonate and 20 ml of ethyl acetate were mixed and stirred at -5~5 ??C. 7.27g of benzamide was dissolved in a solution of 30ml of ethyl acetate via a constant pressure dropping funnel and slowly added dropwise to the above solution, the dropping process was at a low temperature stage of -5~5??C. After adding, stirring for 30 minutes, slowly warming up to a high temperature stage of 75~80??C, and dropwise adding 2.97g of bis(trichloromethyl)carbonate dissolved in a solution of 20ml of ethyl acetate at this reaction temperature, 3~3.5 hours to add, add and continue to react at this temperature for 2 hours, recovering the ethyl acetate at the end of the reaction, and then obtaining 7.93g of benzoyl isocyanate after decompression distillation, with a yield of 89.89%.

BENZOYL ISOCYANATE(4461-33-0)Related Product Information

• Benzeneacetonitrile
• Phenyl isothiocyanate
• Isophorone diisocyanate
• 4,4'-METHYLENEBIS(PHENYL ISOCYANATE)
• 2,6-Difluorobenzoyl isocyanate
• BENZOYL ISOCYANATE
• 2-Chlorobenzoyl isocyanate
• 4-Fluorobenzoyl isocyanate
• Benzoyl isocyanate, 4-methyl- (9CI)
• Benzoyl isocyanate, 3-methyl- (9CI)
• Benzoyl isocyanate, 4-hydroxy- (9CI)
• 3-[[[[N-(3-isocyanatomethylphenyl)ureido]phenylene]methyl]phenyleneaminocarbamoyl]benzoyl isocyanate
• 4-chlorobenzoyl isocyanate
• 3-methylbenzoyl isocyanate
• 3-chlorobenzoyl isocyanate
• 4-methylbenzoyl isocyanate
• 4-nitrobenzoyl isocyanate
• 3-fluorobenzoyl isocyanate