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4-Bromochlorobenzene

Product Name 4-Bromochlorobenzene

CAS106-39-8

MFC6H4BrCl

MW191.45

¹³CNMR

Mass

MS-NW-2079          
p-bromochlorobenzene
C6H4BrCl            (Mass of molecular ion:    190)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      36.0       1.0
      37.0       4.4
      38.0       5.4
      49.0       3.4
      50.0      22.2
      51.0       6.1
      55.0       2.8
      56.0       1.0
      61.0       1.6
      73.0       4.1
      74.0      15.4
      75.0      42.6
      76.0       8.9
      77.0       1.4
      78.0       1.3
      84.0       1.7
      85.0       3.3
      87.0       1.0
      95.0       3.5
      96.0       4.1
      97.0       1.0
     110.0       1.5
     111.0      71.1
     112.0       5.1
     113.0      22.7
     114.0       1.5
     155.0       1.3
     157.0       1.2
     190.0      75.3
     191.0       5.3
     192.0     100.0
     193.0       6.6
     194.0      23.9
     195.0       1.7

parameter in CDCl3

90 MHz in CDCl3

¹H NMR	300 MHz
C₆ H₄ Br Cl	10 mol% in TMS
p-bromochlorobenzene

    Parameter     ppm  Hz

      D(A)         7.284
      D(B)         7.071
       J(A,A')         2.47
       J(A,B)          8.54
       J(A,B')         0.33
       J(A',B)         0.33
       J(A',B')        8.54
       J(B,B')         2.49
     
     CRECELY,R.W. ET AL. SPECTROCHIM.ACTA 24A, 685 (1968)

     Hz     ppm     Int.

   2192.73   7.309     81
   2189.87   7.300    745
   2187.82   7.293    267
   2183.19   7.277    308
   2181.11   7.270   1000
   2178.29   7.261    122
   2128.21   7.094    122
   2125.39   7.085   1000
   2123.31   7.078    308
   2118.68   7.062    267
   2116.63   7.055    745
   2113.78   7.046     81

¹H NMR	89.56 MHz
C₆ H₄ Br Cl	0.047 g : 0.5 ml CDCl₃
p-bromochlorobenzene

    Assign.     Shift(ppm)

      A             7.39
      B             7.21

     Hz     ppm     Int.

    670.88   7.491     43
    668.50   7.465    506
    668.00   7.459    241
    666.19   7.439    183
    661.88   7.391    251
    659.56   7.365   1000
    657.13   7.338    197
    656.19   7.327     29
    650.31   7.262    187
    647.94   7.235    989
    645.63   7.209    258
    641.31   7.161    185
    639.50   7.141    324
    639.00   7.135    457
    636.56   7.108     44

in CDCl3

KBr disc

nujol mull

4880 A,100M,powder

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