1,4-Dichlorobenzene(106-46-7) IR2
Product Name1,4-Dichlorobenzene
CAS106-46-7
Molecular FormulaC6H4Cl2
Molecular Weight147
InChIInChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H
InChIKey OCJBOOLMMGQPQU-UHFFFAOYSA-N
SmilesC1(Cl)=CC=C(Cl)C=C1
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MassMS-NW-1381 p-dichlorobenzene C6H4Cl2 (Mass of molecular ion: 146)
Source Temperature: 250 °C Sample Temperature: 180 °C Reservoir, 75 eV
36.0 1.0 37.0 4.1 37.5 1.3 38.0 3.4 49.0 2.8 50.0 14.2 51.0 4.9 55.0 4.6 56.0 1.5 61.0 1.5 73.0 7.5 74.0 12.0 75.0 24.2 76.0 3.3 84.0 2.2 85.0 3.1 86.0 1.4 109.0 1.3 110.0 2.8 111.0 34.3 112.0 3.0 113.0 10.9 146.0 100.0 147.0 7.0 148.0 65.4 149.0 4.4 150.0 10.5
parameter neat
parameter in CDCl3
parameter in cyclohexane
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1H NMR 300 MHz C6 H4 Cl2 neat p-dichlorobenzene 
Parameter ppm Hz
D(A) 7.070 CRECELY,R.W. ET AL. SPECTROCHIM.ACTA 24A, 685 (1968)
Hz ppm Int.2121.00 7.070 1000
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1H NMR 300 MHz C6 H4 Cl2 0.045 g : 0.5 ml CDCl3 p-dichlorobenzene Parameter ppm Hz
D(A) 7.255
Hz ppm Int.2176.50 7.255 1000
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1H NMR 300 MHz C6 H4 Cl2 in cyclohexane p-dichlorobenzene Parameter ppm Hz
D(A) 7.201 MARTIN,J. & DAILEY,B.P. J.CHEM.PHYS. 37, 2594 (1962)
Hz ppm Int.2160.30 7.201 1000
in CDCl3
CCl4 solution
KBr disc
nujol mull
4880 A,100M,powder
