2,4,5-TRICHLOROBENZENESULFONYL CHLORIDE(15945-07-0) IR3
Product Name2,4,5-TRICHLOROBENZENESULFONYL CHLORIDE
CAS15945-07-0
Molecular FormulaC6H2Cl4O2S
Molecular Weight279.96
InChIInChI=1S/C6H2Cl4O2S/c7-3-1-5(9)6(2-4(3)8)13(10,11)12/h1-2H
InChIKey WNVVRCKTQSCPAC-UHFFFAOYSA-N
SmilesC1(S(Cl)(=O)=O)=CC(Cl)=C(Cl)C=C1Cl
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MassMS-NW-1919 2,4,5-trichlorobenzenesulfonyl chloride C6H2Cl4O2S (Mass of molecular ion: 278)
Source Temperature: 150 °C Sample Temperature: 110 °C Direct, 75 eV
28.0 1.9 35.0 1.0 36.0 1.5 37.0 5.3 38.0 1.4 45.0 1.0 47.0 1.2 48.0 3.0 49.0 2.2 50.0 3.1 54.0 1.6 60.0 1.4 61.0 4.2 62.0 3.1 64.0 3.9 69.0 2.1 71.0 1.4 71.5 4.1 72.0 6.1 72.5 2.8 73.0 11.3 74.0 26.7 75.0 1.8 79.0 1.9 83.0 1.6 84.0 11.5 85.0 2.1 86.0 3.8 94.0 1.0 96.0 1.5 97.0 3.7 99.0 1.1 107.0 5.0 108.0 18.3 109.0 23.4 110.0 6.9 111.0 7.2 118.0 1.9 119.0 2.1 120.0 1.3 121.0 1.4 121.5 1.9 122.5 1.9 143.0 26.8 144.0 14.9 145.0 18.1 146.0 9.6 147.0 3.4 148.0 1.6 167.0 4.4 169.0 4.2 171.0 1.3 176.0 1.2 178.0 1.5 179.0 66.7 180.0 6.0 181.0 62.5 182.0 5.2 183.0 20.5 184.0 1.6 185.0 2.2 195.0 20.4 196.0 1.4 197.0 19.4 198.0 1.3 199.0 6.9 201.0 1.4 214.0 4.8 216.0 6.2 218.0 3.0 227.0 1.2 229.0 1.2 243.0 99.2 244.0 7.3 245.0 100.0 246.0 7.3 247.0 35.3 248.0 2.6 249.0 4.9 278.0 28.9 279.0 2.1 280.0 38.3 281.0 3.0 282.0 19.6 283.0 1.4 284.0 4.7 360.0 1.1
parameter in CDCl3
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1H NMR 300 MHz C6 H2 Cl4 O2 S 0.047 g : 0.5 ml CDCl3 2,4,5-trichlorobenzenesulfonyl chloride 
Parameter ppm Hz
D(A) 8.226 D(B) 7.763
Hz ppm Int.2467.80 8.226 1000 2328.90 7.763 1000
in CDCl3
CCl4 solution
KBr disc
nujol mull
4880 A,100M,powder
