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1-Bromo-4-iodobenzene

Product Name 1-Bromo-4-iodobenzene

CAS589-87-7

MFC6H4BrI

MW282.9

¹³CNMR

Mass

MS-NW-9318          
p-bromoiodobenzene
C6H4BrI             (Mass of molecular ion:    282)

   Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      37.0       2.0
      38.0       1.8
      49.0       2.0
      50.0      19.1
      51.0       2.1
      73.0       3.2
      74.0      13.1
      75.0      23.2
      76.0      23.1
      77.0       1.4
     127.0       2.3
     141.0       3.2
     142.0       3.1
     155.0      41.5
     156.0       3.1
     157.0      40.6
     158.0       2.6
     282.0     100.0
     283.0       6.7
     284.0      97.8
     285.0       6.5

90 MHz in CDCl3

parameter in TMS

¹H NMR	89.56 MHz
C₆ H₄ Br I	0.045 g : 0.5 ml CDCl₃
p-bromoiodobenzene

    Assign.     Shift(ppm)

      A             7.527
      B             7.224

     Hz     ppm     Int.

    682.13   7.617     62
    679.63   7.589    589
    677.56   7.566    199
    673.00   7.515    245
    670.88   7.491   1000
    668.44   7.464    152
    652.63   7.288    135
    651.88   7.279     39
    650.13   7.260   1000
    648.06   7.237    270
    643.50   7.186    191
    641.44   7.163    579
    638.88   7.134     62

¹H NMR	300 MHz
C₆ H₄ Br I	10 mol% in TMS
p-bromoiodobenzene

    Parameter     ppm  Hz

      D(A)         7.148
      D(B)         7.462
       J(A,A')         2.40
       J(A,B)          8.39
       J(A,B')         0.30
       J(A',B)         0.30
       J(A',B')        8.39
       J(B,B')         2.35
     
     CRECELY,R.W. ET AL. SPECTROCHIM.ACTA 24A, 685 (1968)

     Hz     ppm     Int.

   2245.84   7.486     91
   2243.07   7.477    823
   2241.12   7.470    282
   2236.48   7.455    311
   2234.50   7.448   1000
   2231.76   7.439    120
   2151.24   7.171    120
   2148.50   7.162   1000
   2146.52   7.155    311
   2141.88   7.140    282
   2139.93   7.133    823
   2137.17   7.124     92

in CDCl3

CCl4 solution

KBr disc

nujol mull

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