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Back ChemicalBook Home>CAS DataBase List>98-58-8More Spectrum> 4-Bromobenzenesulfonyl chloride(98-58-8) Raman

4-Bromobenzenesulfonyl chloride(98-58-8) Raman

Molecular FormulaC6H4BrClO2S

Molecular Weight255.52

InChIInChI=1S/C6H4BrClO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H

InChIKey KMMHZIBWCXYAAH-UHFFFAOYSA-N

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


  • Mass

    MS-NW-2258          
    p-bromobenzenesulfonyl chloride
    C6H4BrClO2S         (Mass of molecular ion:    254)
    

       Source Temperature: 280 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          18.0       3.7
          28.0       2.0
          35.0       1.0
          36.0       3.9
          37.0       4.2
          38.0      10.2
          39.0       2.4
          44.0       1.9
          45.0       1.9
          48.0       9.9
          49.0       3.1
          50.0      45.5
          51.0       9.8
          61.0       2.0
          62.0       2.3
          63.0       5.1
          64.0      19.6
          65.0       1.1
          66.0       1.0
          69.0       2.9
          73.0       4.3
          74.0      21.5
          75.0      56.1
          76.0      50.2
          77.0      16.3
          78.0       1.0
          82.0       1.0
          95.0       1.6
          96.0       4.1
         108.0       3.1
         109.0       1.6
         109.5       1.0
         110.5       1.0
         111.0       5.9
         113.0       1.9
         117.0       1.1
         119.0       1.0
         129.0       1.9
         131.0       2.0
         143.0       2.7
         145.0       2.4
         155.0     100.0
         156.0      16.0
         157.0      98.0
         158.0      15.1
         171.0       1.1
         172.0       1.3
         173.0       1.3
         174.0       1.3
         175.0       1.1
         177.0       1.0
         188.0       1.0
         190.0       3.2
         192.0       3.2
         203.0       4.0
         205.0       4.1
         219.0      82.9
         220.0       6.2
         221.0      83.9
         222.0       6.3
         223.0       4.2
         236.0       1.3
         254.0      21.5
         255.0       1.6
         256.0      29.2
         257.0       2.2
         258.0       8.4
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C6 H4 Br Cl O2 S 0.047 g : 0.5 ml CDCl3
    p-bromobenzenesulfonyl chloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.90 B 7.79

         Hz     ppm     Int.
    

        715.75   7.992     42
        714.25   7.976    245
        713.69   7.969    116
        713.31   7.965    104
        711.75   7.948    125
        711.13   7.941     36
        707.56   7.901    189
        705.19   7.874   1000
        703.56   7.856    252
        701.00   7.828    253
        699.38   7.810    911
        697.00   7.783    188
        693.50   7.744     25
        692.81   7.736    127
        691.19   7.718    106
        690.88   7.715    115
        690.31   7.708    243
        688.81   7.692     44
    

in CDCl3



CCl4 solution



KBr disc



4880 A,100M,powder



4-Bromobenzenesulfonyl chloride(98-58-8) Raman Atlas of Related Products

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