4-Cyanophenyl isocyanate Chemical Properties

Melting point:

101-104 °C (lit.)

Boiling point:

262.72°C (rough estimate)

Density 

1.2851 (rough estimate)

refractive index 

1.4900 (estimate)

storage temp. 

2-8°C

form 

Crystalline Needles or Solid

color 

Off-white to beige

Water Solubility 

insoluble (dec)

InChI

1S/C8H4N2O/c9-5-7-1-3-8(4-2-7)10-6-11/h1-4H

InChIKey

TVSXDZNUTPLDKY-UHFFFAOYSA-N

SMILES

O=C=Nc1ccc(cc1)C#N

CAS DataBase Reference

40465-45-0(CAS DataBase Reference)

EPA Substance Registry System

Benzonitrile, 4-isocyanato- (40465-45-0)

Safety Information

Hazard Codes 

Xn,Xi

Risk Statements 

20/21/22-36/37/38

Safety Statements 

26-36/37/39

RIDADR 

UN 2206 6.1/PG 3

WGK Germany 

3

TSCA 

TSCA listed

HazardClass 

6.1

HS Code 

2929100090

Storage Class

11 - Combustible Solids

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:4-Isocyanatobenzonitrile
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS

4-Cyanophenyl isocyanate Usage And Synthesis

Chemical Properties

off-white to beige crystalline needles or solid

Uses

4-Cyanophenyl isocyanate, also known as 4-isocyanatobenzonitrile, is an aryl isocyanate. It alters the surface of silk sericin in lithium chloride/dimethyl sulfoxide solvent by forming urethane linkages.

General Description

4-Cyanophenyl isocyanate, also known as 4-isocyanatobenzonitrile, is an aryl isocyanate. It alters the surface of silk sericin in lithium chloride/dimethyl sulfoxide solvent by forming urethane linkages.

4-Cyanophenyl isocyanate(40465-45-0)Related Product Information

• Propyl isocyanate
• ISOCYANIC ACID
• Isocyanatocyclohexane
• Phenyl isocyanate
• ISOCYANATE
• 3-CYANOPHENYL ISOCYANATE,M-CYANOPHENYL ISOCYANATE
• 2-CYANOPHENYL ISOCYANATE
• P-TOLYL ISOCYANATE
• 4-Aminobenzonitrile
• 4-Cyanophenyl isocyanate