4-Nitrobenzonitrile Chemical Properties

Melting point:

144-147 °C(lit.)

Boiling point:

268.69°C (rough estimate)

Density 

1.4015 (rough estimate)

refractive index 

1.5300 (estimate)

storage temp. 

Sealed in dry,Room Temperature

solubility 

1.65g/l slightly soluble

form 

Fine Crystalline Powder

color 

Yellow

BRN 

972078

InChI

InChI=1S/C7H4N2O2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H

InChIKey

NKJIFDNZPGLLSH-UHFFFAOYSA-N

SMILES

C(#N)C1=CC=C([N+]([O-])=O)C=C1

CAS DataBase Reference

619-72-7(CAS DataBase Reference)

NIST Chemistry Reference

Benzonitrile, 4-nitro-(619-72-7)

EPA Substance Registry System

Benzonitrile, 4-nitro- (619-72-7)

Safety Information

Hazard Codes 

T

Risk Statements 

23/24/25-36/37/38

Safety Statements 

36/37/39-45-28A-36/37-22-26

RIDADR 

UN 2811 6.1/PG 2

WGK Germany 

3

RTECS 

DI4903500

TSCA 

Y

HazardClass 

6.1

PackingGroup 

II

HS Code 

29269095

MSDS

• Language:English Provider:4-Nitrobenzonitrile
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

4-Nitrobenzonitrile Usage And Synthesis

Application

p-Nitrobenzonitrile is a benzonitrile compound. Benzonitrile is a basic structural unit of many natural products, bioactive molecules, and drug molecules, and has a wide range of applications in psychotropic drugs. Benzonitrile compounds can also be used as intermediates in high-grade coatings such as benzoic acid melamine, as well as in the synthesis of pesticides, aliphatic amines, and benzoic acid. They can also be used as solvents in nitrile rubbers, resins, polymers, and coatings.

Chemical Properties

white to light yellow crystal powder

Preparation

A good alternative reagent for aromatic amines bearing electron-withdrawing substituents is sodium perborate in acetic acid. 4-Nitrobenzonitrile was prepared (91%) from 4-aminobenzonitrile with this reagent.

Synthesis Reference(s)

The Journal of Organic Chemistry, 40, p. 126, 1975 DOI: 10.1021/jo00889a034

4-Nitrobenzonitrile(619-72-7)Related Product Information

• Benzonitrile
• 4-Nitrobenzoic acid
• 2-Cyanophenol
• p-Tolunitrile
• 3-Nitrobenzonitrile
• Trifluoro-p-tolunitrile
• 4-(tert-Butyl)benzyl mercaptan
• 4-Nitrobenzenesulfonyl chloride
• 4-Nitrophenyl chloroformate
• 4-Nitrobenzyl alcohol
• 4-Bromobenzonitrile
• 4-Nitrobenzaldehyde
• 4-Nitrophenylacetic acid
• 4-NITROTHIOANISOLE
• Ethyl 4-nitrophenylacetate
• 2-CHLORO-5-NITROBENZENESULFONIC ACID
• 4-Nitrophthalonitrile
• 4-Nitroaniline