3-Nitrophthalonitrile

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
Mol File:51762-67-5.mol
3-Nitrophthalonitrile Structure
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
solubility Methanol[soluble in]
form Powder
color White to Light yellow to Green
Water Solubility Soluble in methanol. Insoluble in water.
BRN 2263686
LogP0.3 at 25℃
Surface tension70.3mN/m at 212.5mg/L and 25℃
CAS DataBase Reference51762-67-5(CAS DataBase Reference)
EPA Substance Registry System1,2-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 Information
ProviderLanguage
3-NitrophthalonitrileEnglish
SigmaAldrichEnglish
ACROSEnglish
ALFAEnglish
3-Nitrophthalonitrile Usage And Synthesis
Chemical Propertieslight yellow powder
Uses3-Nitrophthalonitrile can be used in solar cells. Dyes and metabolites.
Application3-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.
PreparationThe 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 of 3-Nitrophthalonitrile
Synthesis Reference(s)Journal of Heterocyclic Chemistry, 32, p. 495, 1995 DOI: 10.1002/jhet.5570320219
3-Nitrophthalonitrile Preparation Products And Raw materials
Raw materials1,2-BENZENEDICARBONYL DICHLORIDE,3-NITRO-–>3-Nitrophthalamide–>3-Nitrophthalic acid–>PHOSGENE
Preparation Products4-Nitrophthalonitrile–>3-aMinophthalonitrile–>cobalt(II) 1,8,15,22-tetra(amino)phthalocyanine

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