4-Isocyanatobenzonitrile

Basic Information

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CAS Number

40465-45-0

Molecular Formula

C8H4N2O

Molecular Weight

144.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

101-104 °C

Boiling Point

262.72°C (rough estimate)

Flash Point

32℃

Refractive Index

1.4900 (estimate)

SMILES

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C1=CC(=CC=C1C#N)N=C=O

InChI

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

InChIKey

TVSXDZNUTPLDKY-UHFFFAOYSA-N

LogP

1.52558

Complexity

214

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

DTXSID0068230
p-cyanophenylisocyanate
EINECS 254-934-0
AKOS000202533
UNII-GOU22OT3BX
4-Isocyanatobenzonitrile #
A825118
1-cyano-4-isocyanato-benzene
MFCD00037038
40465-45-0
4-Cyanophenyl isocyanate, 97%
BP-10102
P19992
FT-0618306
Benzonitrile, 4-isocyanato-
EN300-28749
NS00030797
Z271138688
4-Cyanophenylisocyanate
p-Cyanophenyl isocyanate
4-Cyanophenyl isocyanate
SY013798
STR02688
4-isocyanatobenzonitrile;4-Cyanophenyl Isocyanate
4-Isocyanatobenzonitrile
Isocyanic acid, ester with p-cyanophenol
SCHEMBL135741
W-106352
GOU22OT3BX
4-cyanophenylisocyanat
P-CYANOPHENYL ISOCYANATE

MDL Number

MFCD00037038

Customs Code

2929109000

FAQ

What is 4-Isocyanatobenzonitrile (CAS: 40465-45-0)?

4-Isocyanatobenzonitrile (CAS: 40465-45-0) is an aromatic isocyanate compound. It has the chemical formula C9H5N2O and is characterized by its high reactivity and volatility. This compound is used in various industrial applications such as coatings, adhesives, and polyurethane manufacturing.

What are the main uses of 4-Isocyanatobenzonitrile (CAS: 40465-45-0)?

4-Isocyanatobenzonitrile (CAS: 40465-45-0) is primarily used as a monomer in the synthesis of polyurethane prepolymers. It finds applications in the production of coatings, adhesives, and elastomers. Additionally, it is used in the formulation of specialty chemicals and as a reactive diluent in polyurethane systems.

Is 4-Isocyanatobenzonitrile (CAS: 40465-45-0) safe?

4-Isocyanatobenzonitrile (CAS: 40465-45-0) is not considered safe for general handling due to its hazardous nature. It is highly reactive and may cause irritation to the skin and eyes. Proper personal protective equipment (PPE) such as gloves, goggles, and a respirator should be worn when handling this compound. Immediate medical attention is required if exposure occurs.

How should 4-Isocyanatobenzonitrile (CAS: 40465-45-0) be stored?

4-Isocyanatobenzonitrile (CAS: 40465-45-0) should be stored in a cool, dry place away from heat and direct sunlight. It must be kept in a tightly sealed container to prevent evaporation and contamination. The storage area should be well-ventilated, and the temperature should not exceed 25°C. Avoid contact with incompatible materials such as water, alcohols, and amines.