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3-Nitrophthalonitrile

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3-Nitrophthalonitrile Basic information

Product Name:
3-Nitrophthalonitrile
Synonyms:
  • 2,3-DICYANONITROBENZENE
  • 1,2-DICYANO-3-NITROBENZENE
  • 3-NITRO-PHTHALODINITRILE
  • 3-NITROPHTHALONITRILE
  • 3-nitro-1,2-benzenedicarbonitrile
  • 3-nitro-2-benzenedicarbonitrile
  • 3-NITROPHTHALONITRILE 98+%
  • 2,3-Dicyano-1-nitrobenzene
CAS:
51762-67-5
MF:
C8H3N3O2
MW:
173.13
EINECS:
450-650-8
Product Categories:
  • Aromatic Nitriles
  • Benzene derivates
  • Functional Materials
  • Phthalonitriles & Naphthalonitriles
  • Phthalonitriles (Building Blocks for Phthalocyanines)
  • N
  • Stains and Dyes
  • Stains&Dyes, A to
  • john's
Mol File:
51762-67-5.mol
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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
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)
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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

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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

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