2,5-DICHLOROBENZENESULFONYL CHLORIDE(5402-73-3) IR1
Product Name2,5-DICHLOROBENZENESULFONYL CHLORIDE
CAS5402-73-3
Molecular FormulaC6H3Cl3O2S
Molecular Weight245.51
InChIInChI=1S/C6H3Cl3O2S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H
InChIKey BXCOSWRSIISQSL-UHFFFAOYSA-N
SmilesC1(S(Cl)(=O)=O)=CC(Cl)=CC=C1Cl
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MassMS-IW-5084 2,5-dichlorobenzenesulfonyl chloride C6H3Cl3O2S (Mass of molecular ion: 244)
Source Temperature: 110 °C Sample Temperature: 100 °C Direct, 75 eV
36.0 1.2 37.0 2.6 38.0 1.7 45.0 1.0 48.0 2.3 49.0 1.9 50.0 7.6 51.0 1.2 54.5 2.8 55.0 2.3 55.5 1.0 61.0 2.5 62.0 2.2 63.0 2.7 64.0 2.4 69.0 2.4 72.0 1.9 72.5 1.1 73.0 7.1 74.0 26.1 75.0 20.3 76.0 1.3 79.0 1.2 83.0 1.0 84.0 7.5 85.0 5.2 86.0 2.6 87.0 1.6 90.0 1.2 91.0 1.3 95.0 1.1 97.0 1.0 104.5 3.3 105.5 2.2 107.0 1.1 108.0 1.9 109.0 42.2 110.0 9.3 111.0 14.4 112.0 2.9 119.0 1.0 133.0 3.2 135.0 2.0 142.0 1.1 144.0 1.1 145.0 100.0 146.0 8.0 147.0 65.0 148.0 4.9 149.0 10.3 161.0 3.6 163.0 2.3 165.0 1.5 180.0 6.3 182.0 5.9 184.0 1.9 193.0 1.2 209.0 86.4 210.0 6.5 211.0 59.3 212.0 4.1 213.0 11.2 244.0 26.0 245.0 2.1 246.0 26.2 247.0 2.0 248.0 9.1 250.0 1.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H3 Cl3 O2 S 0.039 g : 0.5 ml CDCl3 2,5-dichlorobenzenesulfonyl chloride 
Assign. Shift(ppm)
A 8.130 B 7.63 C 7.59 CALCULATED BY LAOCN PROGRUM.
Hz ppm Int.729.75 8.149 331 728.75 8.138 319 727.94 8.128 436 726.94 8.117 407 691.25 7.719 56 682.69 7.623 651 681.63 7.611 673 680.63 7.600 1000 673.06 7.516 40
in CDCl3
KBr disc
nujol mull
