4-Iodobenzenesulfonyl chloride(98-61-3) IR1

Product Name4-Iodobenzenesulfonyl chloride

CAS 98-61-3

Molecular FormulaC6H4ClIO2S

Molecular Weight302.52

InChIInChI=1S/C6H4ClIO2S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4H

InChIKey POXFXTSTVWDWIR-UHFFFAOYSA-N

SmilesC1(S(Cl)(=O)=O)=CC=C(I)C=C1

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Mass

MS-NW-4785          
p-iodobenzenesulfonyl chloride
C6H4ClIO2S          (Mass of molecular ion:    302)

   Source Temperature: 240 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      17.0       1.5
      18.0       6.0
      36.0       2.9
      37.0       2.0
      38.0       3.1
      39.0       1.3
      45.0       1.4
      48.0       2.5
      49.0       1.6
      50.0      47.5
      51.0       5.5
      61.0       1.2
      62.0       1.4
      63.0       3.7
      64.0       4.2
      69.0       2.2
      70.0       1.4
      73.0       2.5
      74.0      15.4
      75.0      24.1
      76.0     100.0
      77.0      11.6
      92.0       2.6
      95.0       1.1
      96.0       3.8
      99.0       1.0
     101.5       1.4
     108.0       1.6
     109.0       1.6
     111.0       6.4
     113.0       2.0
     119.0       1.0
     127.0       3.1
     133.5       1.8
     140.0       1.6
     191.0       1.9
     203.0      89.7
     204.0      10.4
     219.0       2.0
     236.0       2.0
     238.0       2.0
     251.0       3.6
     267.0      79.7
     268.0       6.7
     269.0       4.1
     302.0      56.5
     303.0       4.5
     304.0      21.1
     305.0       1.7
     306.0       1.1
     330.0       1.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₄ Cl I O₂ S	0.052 g : 0.5 ml CDCl₃
p-iodobenzenesulfonyl chloride

    Assign.     Shift(ppm)

      A             7.991
      B             7.752

     Hz     ppm     Int.

    723.56   8.080     66
    721.44   8.056    532
    720.63   8.047    173
    719.31   8.032    165
    714.69   7.981    222
    712.56   7.957    961
    710.56   7.934    176
    709.75   7.925     52
    701.50   7.833     48
    701.00   7.828     74
    699.06   7.806    175
    697.13   7.784   1000
    696.50   7.777    305
    695.00   7.761    230
    690.25   7.708    166
    688.25   7.685    514
    686.25   7.663    101

in CDCl3