1,4-Dicyanobenzene(623-26-7) IR1
Product Name1,4-Dicyanobenzene
CAS623-26-7
Molecular FormulaC8H4N2
Molecular Weight128.13
InChIInChI=1S/C8H4N2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H
InChIKey BHXFKXOIODIUJO-UHFFFAOYSA-N
SmilesC1(C#N)=CC=C(C#N)C=C1
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MassMS-NW-1447 terephthalonitrile C8H4N2 (Mass of molecular ion: 128)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
26.0 1.6 37.0 3.5 38.0 1.7 39.0 1.4 49.0 1.5 50.0 10.2 51.0 4.1 52.0 1.9 61.0 1.1 62.0 1.1 63.0 1.9 64.0 6.4 74.0 2.7 75.0 8.6 76.0 6.2 77.0 3.0 88.0 1.7 99.0 1.6 100.0 3.4 101.0 20.7 102.0 3.0 128.0 100.0 129.0 9.4
parameter in CDCl3
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1H NMR 300 MHz C8 H4 N2 0.044 g : 0.5 ml CDCl3 terephthalonitrile 
Parameter ppm Hz
D(A) 7.800
Hz ppm Int.2340.00 7.800 1000
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
ANION RADICAL, RED. WITH ALKALI METAL IN DME-THF
