2,3,4-TRICHLOROBENZENESULFONYL CHLORIDE(34732-09-7) MS
Product Name2,3,4-TRICHLOROBENZENESULFONYL CHLORIDE
CAS34732-09-7
Molecular FormulaC6H2Cl4O2S
Molecular Weight279.96
InChIInChI=1S/C6H2Cl4O2S/c7-3-1-2-4(13(10,11)12)6(9)5(3)8/h1-2H
InChIKey JDAJYNHGBUXIKS-UHFFFAOYSA-N
SmilesC1(S(Cl)(=O)=O)=CC=C(Cl)C(Cl)=C1Cl
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MassMS-NW-6868 2,3,4-trichlorobenzenesulfonyl chloride C6H2Cl4O2S (Mass of molecular ion: 278)
Source Temperature: 140 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 2.4 28.0 2.0 35.0 2.1 36.0 3.4 37.0 4.7 38.0 1.5 44.0 1.1 45.0 1.1 47.0 1.5 48.0 5.8 49.0 2.3 50.0 2.4 54.0 1.7 60.0 1.2 61.0 3.9 62.0 2.6 64.0 6.8 69.0 1.6 71.0 1.7 71.5 3.7 72.0 5.0 72.5 2.8 73.0 10.8 74.0 24.9 75.0 2.0 79.0 1.6 83.0 2.1 84.0 11.8 85.0 2.7 86.0 4.1 96.0 1.6 97.0 3.7 99.0 1.2 106.0 1.1 107.0 4.3 108.0 17.2 109.0 22.7 110.0 6.7 111.0 7.1 118.0 2.9 119.0 2.2 120.0 2.0 121.0 1.3 121.5 2.1 122.5 2.3 131.0 1.0 143.0 25.6 144.0 14.8 145.0 18.7 146.0 9.4 147.0 3.7 148.0 1.6 160.0 1.0 167.0 4.2 169.0 3.9 171.0 1.3 176.0 1.1 178.0 1.4 179.0 66.6 180.0 8.6 181.0 66.0 182.0 7.1 183.0 21.6 184.0 2.2 185.0 2.5 195.0 15.3 196.0 1.1 197.0 15.2 198.0 1.1 199.0 5.6 201.0 1.4 214.0 6.9 216.0 8.9 218.0 4.5 220.0 1.0 227.0 1.3 229.0 1.3 243.0 100.0 244.0 7.4 245.0 98.0 246.0 7.5 247.0 34.5 248.0 2.7 249.0 4.9 278.0 28.9 279.0 2.1 280.0 38.6 281.0 3.1 282.0 19.5 283.0 1.5 284.0 4.7 288.0 1.1 290.0 1.5 358.0 1.4 360.0 2.5 362.0 1.9
parameter in CDCl3
400 MHz in CDCl3
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1H NMR 300 MHz C6 H2 Cl4 O2 S 0.038 g : 0.5 ml CDCl3 2,3,4-trichlorobenzenesulfonyl chloride 
Parameter ppm Hz
D(A) 8.032 D(B) 7.637 J(A,B) 8.75
Hz ppm Int.2414.13 8.047 863 2405.39 8.018 1000 2295.32 7.651 1000 2286.57 7.622 863
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1H NMR 399.65 MHz C6 H2 Cl4 O2 S 0.041 g : 0.5 ml CDCl3 2,3,4-trichlorobenzenesulfonyl chloride Assign. Shift(ppm)
A 8.041 B 7.645
Hz ppm Int.3218.26 8.053 907 3209.47 8.031 1000 3059.69 7.656 990 3050.90 7.634 892
in CDCl3
KBr disc
nujol mull
