1,4-Dibromobenzene(106-37-6) IR2
Product Name1,4-Dibromobenzene
CAS106-37-6
Molecular FormulaC6H4Br2
Molecular Weight235.9
InChIInChI=1S/C6H4Br2/c7-5-1-2-6(8)4-3-5/h1-4H
InChIKey SWJPEBQEEAHIGZ-UHFFFAOYSA-N
SmilesC1(Br)=CC=C(Br)C=C1
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MassMS-NW-1843 p-dibromobenzene C6H4Br2 (Mass of molecular ion: 234)
Source Temperature: 260 °C Sample Temperature: 180 °C Direct, 75 eV
18.0 2.9 26.0 1.0 36.0 1.3 37.0 6.9 38.0 11.7 49.0 5.8 50.0 39.0 51.0 5.4 61.0 1.7 73.0 6.8 74.0 26.4 75.0 44.7 76.0 29.9 77.0 5.3 78.0 4.9 79.0 1.2 81.0 1.2 117.0 3.8 118.0 6.5 119.0 3.5 128.0 1.0 129.0 1.5 130.0 1.1 131.0 1.3 155.0 42.8 156.0 3.7 157.0 41.5 158.0 2.6 234.0 51.4 235.0 3.7 236.0 100.0 237.0 6.8 238.0 49.6 239.0 3.3
parameter in cyclohexane
parameter neat
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1H NMR 300 MHz C6 H4 Br2 in cyclohexane p-dibromobenzene 
Parameter ppm Hz
D(A) 7.293 MARTIN,J. & DAILEY,B.P. J.CHEM.PHYS. 37, 2594 (1962)
Hz ppm Int.2187.90 7.293 1000
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1H NMR 300 MHz C6 H4 Br2 neat p-dibromobenzene Parameter ppm Hz
D(A) 7.222 CRECELY,R.W. ET AL. SPECTROCHIM.ACTA 24A, 685 (1968)
Hz ppm Int.2166.60 7.222 1000
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
