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1,3-Benzenedicarbonitrile,5-nitro- (33224-18-9)

Identification
Name:1,3-Benzenedicarbonitrile,5-nitro-
Synonyms:Isophthalonitrile,5-nitro- (6CI);3,5-Dicyanonitrobenzene;5-Nitroisophthalonitrile;
CAS:33224-18-9
Molecular Formula: C8H3N3O2
Molecular Weight: 173.12832
InChI: InChI=1/C8H3N3O2/c9-4-6-1-7(5-10)3-8(2-6)11(12)13/h1-3H
Molecular Structure: (C8H3N3O2) Isophthalonitrile,5-nitro- (6CI);3,5-Dicyanonitrobenzene;5-Nitroisophthalonitrile;
Properties
Density:1.41 g/cm3
Refractive index:1.602
Specification:

The systematic name of 3,5-Dicyanonitrobenzene is 5-nitrobenzene-1,3-dicarbonitrile . With the CAS registry number 33224-18-9, it is also named as 1,3-benzenedicarbonitrile, 5-nitro- ; 5-Nitroisophthalonitrile ; 5-Nitrobenzene-1,3-dicarbonitrile ; 5-Nitro-m-Phthalonitrile .

 3,5-Dicyanonitrobenzene can be obtained by many methods. For example: treating isophthalonitrile with NO2 , methanesulfonic acid and O3 catalyzed by FeCl3 in acetonitrile . The reaction time is 28 hour(s), reaction temperature is -10-20 °C and the yield is 41%. 3,5-Dicyanonitrobenzene is also synthesized by 5-nitro-isophthalic acid diamide or 5-nitro-isophthaloyl chloride .

 3,5-Dicyanonitrobenzene can used as reactant in the organic synthesis. It can react with benzene-1,3-diol to get C22H10N4O2, with 2-methyl-phenol to get 5-nitro-isophthalonitrile , with 2,3-dimethyl-phenol to get 5-(2,3-dimethyl-phenoxy)-isophthalonitrile , with 2,6-dimethyl-phenol to get 5-(2,6-dimethyl-phenoxy)-isophthalonitrile , with 4-methyl-phenol to get 5-p-tolyloxy-isophthalonitrile , with 4,4'-(1-methyl-ethane-1,1-diyl)-bis-phenol to get C31H20N4O2, and so on.

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