CHLOROMETHYL PHENYL SULFONE(7205-98-3) IR2
Product NameCHLOROMETHYL PHENYL SULFONE
CAS7205-98-3
Molecular FormulaC7H7ClO2S
Molecular Weight190.65
InChIInChI=1S/C7H7ClO2S/c8-6-11(9,10)7-4-2-1-3-5-7/h1-5H,6H2
InChIKey NXAIQSVCXQZNRY-UHFFFAOYSA-N
SmilesC1(S(CCl)(=O)=O)=CC=CC=C1
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MassMS-KW-0277 (chloromethylsulfonyl)benzene C7H7ClO2S (Mass of molecular ion: 190)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 1.4 28.0 1.2 39.0 2.3 49.0 3.4 50.0 7.0 51.0 22.8 52.0 1.1 65.0 1.9 74.0 2.2 75.0 1.6 76.0 1.7 77.0 100.0 78.0 6.9 91.0 1.8 97.0 1.9 125.0 6.1 141.0 58.9 142.0 4.4 143.0 3.0 160.0 1.2 190.0 9.5 192.0 3.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C7H7ClO2S 0.040 g : 0.5 ml CDCl3 (chloromethylsulfonyl)benzene 
Assign. Shift(ppm)
A 7.983 B 7.734 C 7.622 D 4.554
Hz ppm Int.3197.39 7.998 33 3195.44 7.993 166 3194.95 7.992 128 3194.22 7.990 202 3193.49 7.989 95 3193.00 7.987 87 3192.63 7.986 77 3189.09 7.978 64 3187.02 7.972 240 3185.67 7.969 207 3102.18 7.760 30 3100.84 7.757 56 3099.61 7.754 33 3095.34 7.743 39 3093.39 7.738 114 3091.56 7.734 46 3087.16 7.723 56 3085.94 7.720 98 3084.60 7.716 54 3055.55 7.644 39 3054.20 7.640 123 3053.72 7.639 164 3053.11 7.637 90 3052.13 7.635 77 3046.88 7.622 117 3045.66 7.619 216 3044.44 7.616 73 3040.04 7.605 48 3038.82 7.602 60 3038.34 7.600 102 3037.60 7.599 78 3036.63 7.596 32 1831.18 4.581 12 1830.57 4.579 14 1820.56 4.554 1000 1810.43 4.529 12
in CDCl3
KBr disk
Nujol
