4-Chlorobenzenesulfonyl chloride(98-60-2) IR2
Product Name4-Chlorobenzenesulfonyl chloride
CAS98-60-2
Molecular FormulaC6H4Cl2O2S
Molecular Weight211.07
InChIInChI=1S/C6H4Cl2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H
InChIKey ZLYBFBAHAQEEQQ-UHFFFAOYSA-N
SmilesC1(S(Cl)(=O)=O)=CC=C(Cl)C=C1
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MassMS-NW-1901 p-chlorobenzenesulfonyl chloride C6H4Cl2O2S (Mass of molecular ion: 210)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
28.0 1.2 36.0 1.1 37.0 2.3 38.0 3.6 39.0 1.4 45.0 1.2 48.0 1.5 49.0 1.7 50.0 21.4 51.0 8.0 61.0 2.1 62.0 1.3 63.0 2.3 64.0 1.7 69.0 1.5 73.0 5.0 74.0 11.7 75.0 43.8 76.0 8.4 84.0 1.3 85.0 4.6 87.0 1.6 99.0 2.5 108.0 1.2 111.0 100.0 112.0 7.8 113.0 31.9 114.0 2.4 127.0 1.2 146.0 1.7 148.0 1.1 159.0 1.5 175.0 65.3 176.0 4.9 177.0 24.2 178.0 1.8 179.0 1.1 210.0 15.6 211.0 1.2 212.0 10.8 214.0 2.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H4 Cl2 O2 S 0.054 g : 0.5 ml CDCl3 p-chlorobenzenesulfonyl chloride 
Assign. Shift(ppm)
A 7.99 B 7.61
Hz ppm Int.723.00 8.073 67 720.56 8.046 641 718.44 8.022 210 713.75 7.970 252 711.56 7.946 928 710.13 7.930 65 709.19 7.919 137 687.50 7.677 147 685.13 7.650 1000 682.94 7.626 263 682.00 7.616 39 678.25 7.574 196 676.13 7.550 599 674.81 7.535 45 673.69 7.523 67
in CDCl3
CCl4 solution
KBr disc
nujol mull
