3-Nitrophthalonitrile Chemical Properties

Melting point:

162-165 °C (lit.)

Boiling point:

386.1±37.0 °C(Predicted)

Density 

1.41±0.1 g/cm3(Predicted)

vapor pressure 

0Pa at 20-25℃

storage temp. 

room temp

form 

Powder

color 

White to Light yellow to Green

Water Solubility 

Soluble in methanol. Insoluble in water.

BRN 

2263686

InChI

InChI=1S/C8H3N3O2/c9-4-6-2-1-3-8(11(12)13)7(6)5-10/h1-3H

InChIKey

UZJZIZFCQFZDHP-UHFFFAOYSA-N

SMILES

C1(C#N)=CC=CC([N+]([O-])=O)=C1C#N

LogP

0.3 at 25℃

Surface tension

70.3mN/m at 212.5mg/L and 25℃

CAS DataBase Reference

51762-67-5(CAS DataBase Reference)

EPA Substance Registry System

1,2-Benzenedicarbonitrile, 3-nitro- (51762-67-5)

Safety Information

Hazard Codes 

Xn

Risk Statements 

22-36/37/38-20/21/22

Safety Statements 

26-36-45-37/39

WGK Germany 

3

RTECS 

CZ1953200

HS Code 

29269090

MSDS

• Language:English Provider:3-Nitrophthalonitrile
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

3-Nitrophthalonitrile Usage And Synthesis

Chemical Properties

light yellow powder

Uses

3-Nitrophthalonitrile can be used in solar cells. Dyes and metabolites.

Application

3-Nitrophthalonitrile belongs to nitrile derivatives and can be used as pesticide and pharmaceutical intermediates. It is an important intermediate for the synthesis of nitrophthalocyanine, nitrometallophthalocyanine or other phthalocyanine derivatives.

Preparation

The synthesis of 3-nitrophthalonitrile started with the nitration in position 3 of phthalimide followed by the formation of 3-nitrophthalamide; then dehydration by the thionyl chloride in N, N-dimethylformamide leads to 3-nitrophthalonitrile.

Synthesis of 3-Nitrophthalonitrile

Synthesis Reference(s)

Journal of Heterocyclic Chemistry, 32, p. 495, 1995 DOI: 10.1002/jhet.5570320219

3-Nitrophthalonitrile(51762-67-5)Related Product Information

• DIMETHYL 3-NITROPHTHALATE
• 3-Nitrophenylboronic acid
• 3-Nitrophthalic acid
• 3-Nitroacetophenone
• 3-Nitrobenzoic acid
• 3-NITROPHENYLACETIC ACID
• 3-Nitro-N-(2-hydroxypropyl)-4-aminophenol
• Potassium pyrophosphate
• 2-METHYL-3-NITROBENZONITRILE
• 2-AMINO-6-METHYLBENZONITRILE
• 2-METHYL-6-NITROBENZONITRILE
• Phthalonitrile
• 2-Nitrobenzonitrile
• 3-Nitrophthalonitrile