2,5-DICHLOROBENZENESULFONYL CHLORIDE(5402-73-3) IR1

Product Name2,5-DICHLOROBENZENESULFONYL CHLORIDE

CAS 5402-73-3

Molecular FormulaC6H3Cl3O2S

Molecular Weight245.51

InChIInChI=1S/C6H3Cl3O2S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H

InChIKey BXCOSWRSIISQSL-UHFFFAOYSA-N

SmilesC1(S(Cl)(=O)=O)=CC(Cl)=CC=C1Cl

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2,5-DICHLOROBENZENESULFONYL CHLORIDE(5402-73-3) IR1
Mass

MS-IW-5084          
2,5-dichlorobenzenesulfonyl chloride
C6H3Cl3O2S          (Mass of molecular ion:    244)

   Source Temperature: 110 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      36.0       1.2
      37.0       2.6
      38.0       1.7
      45.0       1.0
      48.0       2.3
      49.0       1.9
      50.0       7.6
      51.0       1.2
      54.5       2.8
      55.0       2.3
      55.5       1.0
      61.0       2.5
      62.0       2.2
      63.0       2.7
      64.0       2.4
      69.0       2.4
      72.0       1.9
      72.5       1.1
      73.0       7.1
      74.0      26.1
      75.0      20.3
      76.0       1.3
      79.0       1.2
      83.0       1.0
      84.0       7.5
      85.0       5.2
      86.0       2.6
      87.0       1.6
      90.0       1.2
      91.0       1.3
      95.0       1.1
      97.0       1.0
     104.5       3.3
     105.5       2.2
     107.0       1.1
     108.0       1.9
     109.0      42.2
     110.0       9.3
     111.0      14.4
     112.0       2.9
     119.0       1.0
     133.0       3.2
     135.0       2.0
     142.0       1.1
     144.0       1.1
     145.0     100.0
     146.0       8.0
     147.0      65.0
     148.0       4.9
     149.0      10.3
     161.0       3.6
     163.0       2.3
     165.0       1.5
     180.0       6.3
     182.0       5.9
     184.0       1.9
     193.0       1.2
     209.0      86.4
     210.0       6.5
     211.0      59.3
     212.0       4.1
     213.0      11.2
     244.0      26.0
     245.0       2.1
     246.0      26.2
     247.0       2.0
     248.0       9.1
     250.0       1.3

90 MHz in CDCl3

2,5-DICHLOROBENZENESULFONYL CHLORIDE(5402-73-3) IR1

¹H NMR	89.56 MHz
C₆ H₃ Cl₃ O₂ S	0.039 g : 0.5 ml CDCl₃
2,5-dichlorobenzenesulfonyl chloride

    Assign.     Shift(ppm)

      A             8.130
      B             7.63
      C             7.59
     
     CALCULATED BY LAOCN PROGRUM.

     Hz     ppm     Int.

    729.75   8.149    331
    728.75   8.138    319
    727.94   8.128    436
    726.94   8.117    407
    691.25   7.719     56
    682.69   7.623    651
    681.63   7.611    673
    680.63   7.600   1000
    673.06   7.516     40

in CDCl3