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1-Chloro-4-iodobenzene

Product Name 1-Chloro-4-iodobenzene

CAS637-87-6

MFC6H4ClI

MW238.45

¹³CNMR

Mass

MS-NW-7703          
p-chloroiodobenzene
C6H4ClI             (Mass of molecular ion:    238)

   Source Temperature: 260 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      36.0       1.0
      37.0       3.8
      38.0       3.3
      49.0       3.0
      50.0      27.1
      51.0       7.2
      61.0       1.6
      73.0       4.5
      74.0      15.8
      75.0      46.5
      76.0      11.0
      84.0       1.6
      85.0       3.9
      87.0       1.3
     110.0       1.4
     111.0      91.0
     112.0       6.5
     113.0      29.0
     114.0       1.9
     119.0       5.3
     120.0       1.8
     127.0       3.9
     128.0       1.3
     238.0     100.0
     239.0       6.9
     240.0      32.3
     241.0       2.2

parameter in TMS

90 MHz in CDCl3

¹H NMR	300 MHz
C₆ H₄ Cl I	10 mol% in TMS
p-chloroiodobenzene

    Parameter     ppm  Hz

      D(A)         6.941
      D(B)         7.479
       J(A,A')         2.54
       J(A,B)          8.41
       J(A,B')         0.33
       J(A',B)         0.33
       J(A',B')        8.41
       J(B,B')         2.22
     
     CRECELY,R.W. ET AL. SPECTROCHIM.ACTA 24A, 685 (1968)

     Hz     ppm     Int.

   2250.87   7.503    101
   2248.13   7.494    892
   2246.14   7.487    304
   2241.50   7.472    322
   2239.49   7.465   1000
   2236.77   7.456    119
   2089.24   6.964    119
   2086.52   6.955    998
   2084.50   6.948    322
   2079.87   6.933    304
   2077.87   6.926    894
   2075.13   6.917    101

¹H NMR	89.56 MHz
C₆ H₄ Cl I	0.041 g : 0.5 ml CDCl₃
p-chloroiodobenzene

    Assign.     Shift(ppm)

      A             7.593
      B             7.078

     Hz     ppm     Int.

    687.81   7.680     87
    685.13   7.650    689
    683.06   7.627    239
    680.69   7.601     62
    680.38   7.597     66
    678.50   7.576    303
    676.38   7.553    993
    673.75   7.523    155
    640.31   7.150    146
    637.69   7.121   1000
    635.56   7.097    293
    633.56   7.075     61
    632.81   7.066     67
    631.00   7.046    256
    628.94   7.023    692
    626.25   6.993     91

in CDCl3

KBr disc

nujol mull

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