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4-Bromoaniline

Product Name 4-Bromoaniline

CAS106-40-1

MFC6H6BrN

MW172.02

¹³CNMR

Mass

MS-NW-8784          
p-bromoaniline
C6H6BrN             (Mass of molecular ion:    171)

   Source Temperature: 270 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       4.8
      28.0       2.7
      31.0       1.5
      37.0       2.4
      38.0       5.0
      39.0      11.7
      40.0       1.6
      41.0       4.7
      42.0       1.3
      44.5       1.9
      45.5      13.5
      46.0       2.4
      50.0       3.3
      51.0       1.8
      52.0       4.2
      61.0       2.4
      62.0       4.4
      63.0       9.2
      64.0       6.5
      65.0      59.2
      66.0       6.1
      74.0       1.7
      75.0       1.5
      85.5       6.6
      86.5       6.4
      90.0       2.1
      91.0       6.9
      92.0      62.6
      93.0       4.5
     117.0       1.2
     119.0       1.2
     143.0       2.0
     145.0       2.0
     171.0     100.0
     172.0       7.8
     173.0      97.1
     174.0       6.8

90 MHz in CDCl3

parameter in acetone

¹H NMR	89.56 MHz
C₆ H₆ Br N	0.048 g : 0.5 ml CDCl₃
p-bromoaniline

    Assign.     Shift(ppm)

      A             7.214
      B             6.542
      C             3.35

     Hz     ppm     Int.

    654.13   7.304     61
    651.06   7.270    764
    650.44   7.263    220
    648.88   7.246    260
    644.44   7.196    250
    642.19   7.171   1000
    639.19   7.138    100
    592.75   6.619    100
    589.75   6.585    984
    589.19   6.579    278
    587.50   6.560    240
    583.06   6.511    214
    580.88   6.486    734
    577.81   6.452     63
    305.06   3.407     31
    299.81   3.348    367
    295.81   3.303     65
    294.25   3.286     38
    293.44   3.277     31

¹H NMR	300 MHz
C₆ H₆ Br N	13 mol% in acetone
p-bromoaniline

    Parameter     ppm  Hz

      D(A)         7.15
      D(B)         6.61
       J(A,A')         2.7
       J(A,B)          8.5
       J(A,B')         0.3
       J(A',B)         0.3
       J(A',B')        8.5
       J(B,B')         2.5
     
      D(C)         4.30
     
     DISCHLER,B. Z.NATURFORSCH. 20A, 888 (1965)

     Hz     ppm     Int.

   2152.56   7.175     33
   2149.46   7.165    317
   2147.39   7.158    107
   2142.87   7.143    113
   2140.77   7.136    355
   2137.70   7.126     39
   1990.32   6.634     39
   1987.24   6.624    358
   1985.15   6.617    113
   1980.63   6.602    107
   1978.56   6.595    319
   1975.46   6.585     33
   1289.99   4.300   1000

in CDCl3

KBr disc

nujol mull

4880 A,200 M,powder

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