Product Name1,3-Benzenedisulfonyl Chloride
CAS585-47-7
Molecular FormulaC6H4Cl2O4S2
Molecular Weight275.13
InChIInChI=1S/C6H4Cl2O4S2/c7-13(9,10)5-2-1-3-6(4-5)14(8,11)12/h1-4H
InChIKey ALIQZUMMPOYCIS-UHFFFAOYSA-N
SmilesC1(S(Cl)(=O)=O)=CC=CC(S(Cl)(=O)=O)=C1
Mass
MS-IW-9166 m-benzenedisulfonyl dichloride C6H4Cl2O4S2 (Mass of molecular ion: 274)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
17.0 1.7 18.0 8.7 28.0 2.8 35.0 1.6 36.0 11.7 37.0 1.7 38.0 6.6 39.0 3.4 44.0 1.5 45.0 3.5 48.0 6.6 49.0 1.2 50.0 44.8 51.0 4.8 52.0 1.9 58.0 1.0 61.0 1.2 62.0 1.9 63.0 5.8 64.0 15.8 65.0 1.2 69.0 4.8 70.0 5.7 73.0 3.0 74.0 12.3 75.0 54.3 76.0 53.4 77.0 5.7 79.0 1.1 80.0 1.7 81.0 1.0 82.0 1.2 83.0 1.3 84.0 1.5 92.0 8.7 93.0 1.0 95.0 2.8 96.0 2.8 99.0 18.8 100.0 1.1 101.0 5.9 102.0 8.7 103.0 1.2 108.0 1.8 111.0 13.3 112.0 1.7 113.0 4.2 124.0 1.8 126.0 2.6 127.0 1.0 128.0 1.0 175.0 93.4 176.0 7.3 177.0 35.0 178.0 2.7 179.0 1.6 223.0 1.2 239.0 100.0 240.0 8.4 241.0 42.2 242.0 3.5 243.0 3.6 274.0 4.2 276.0 3.1
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C6 H4 Cl2 O4 S2 | 0.040 g : 0.5 ml CDCl3 |
m-benzenedisulfonyl dichloride |
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Assign. Shift(ppm) |
Hz ppm Int.
3473.27 8.691 311 3472.90 8.690 343 3471.44 8.687 650 3471.07 8.686 625 3469.60 8.682 379 3469.12 8.681 350 3372.44 8.439 919 3370.48 8.434 870 3367.31 8.426 49 3364.38 8.419 1000 3362.43 8.414 981 3201.54 8.011 333 3201.17 8.010 327 3198.12 8.003 22 3196.41 7.999 23 3193.36 7.991 579 3185.55 7.971 279 3185.06 7.970 277
in CDCl3
KBr disc
nujol mull
1,3-Benzenedisulfonyl Chloride(585-47-7) MS Atlas of Related Products
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