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1-Bromo-2-iodobenzene

Product Name 1-Bromo-2-iodobenzene

CAS583-55-1

MFC6H4BrI

MW282.9

¹³CNMR

Mass

MS-NW-6008          
o-bromoiodobenzene
C6H4BrI             (Mass of molecular ion:    282)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      37.0       3.2
      38.0       2.4
      39.0       1.0
      49.0       3.7
      50.0      32.8
      51.0       3.7
      73.0       3.1
      74.0      14.5
      75.0      33.2
      76.0      37.3
      77.0       2.4
     127.0       6.9
     128.0       1.6
     129.0       1.0
     131.0       1.0
     141.0       3.3
     142.0       3.1
     155.0      40.5
     156.0       3.4
     157.0      39.4
     158.0       2.7
     203.0       3.1
     282.0     100.0
     283.0       6.9
     284.0      97.6
     285.0       6.6

parameter in CDCl3

90 MHz in CDCl3

¹H NMR	300 MHz
C₆ H₄ Br I	10 wt% in CCl₄
o-bromoiodobenzene

    Parameter     ppm  Hz

      D(A)         7.552
      D(B)         7.125
      D(C)         6.913
      D(D)         7.793
       J(A,B)          7.98
       J(A,C)          1.53
       J(A,D)          0.29
       J(B,C)          7.37
       J(B,D)          1.62
       J(C,D)          7.94
     
     CASTELLANO,S. & KOSTELNIK,R. TETRAHEDRON LETT. 1967, 5211

     Hz     ppm     Int.

   2342.73   7.809    889
   2341.12   7.804    903
   2334.83   7.783    952
   2333.20   7.777    957
   2270.48   7.568    865
   2268.96   7.563    886
   2262.51   7.542    980
   2260.99   7.537   1000
   2146.08   7.154    503
   2144.43   7.148    505
   2138.67   7.129    768
   2137.04   7.123    779
   2130.75   7.102    570
   2129.11   7.097    551
   2082.04   6.940    617
   2080.49   6.935    614
   2074.17   6.914    781
   2073.05   6.910    727
   2072.65   6.909    744
   2066.76   6.889    468
   2065.22   6.884    456

¹H NMR	89.56 MHz
C₆ H₄ Br I	0.05 ml : 0.5 ml CDCl₃
o-bromoiodobenzene

    Assign.     Shift(ppm)

      A             7.838
      B             7.599
      C     *1      7.178
      D     *1      6.978

     Hz     ppm     Int.

    707.06   7.895    707
    705.50   7.878    669
    705.13   7.874    673
    703.06   7.851    109
    702.25   7.842    111
    701.25   7.830    123
    699.50   7.811   1000
    697.69   7.791    920
    695.56   7.767    108
    686.00   7.660    647
    684.31   7.641    787
    681.31   7.608    108
    680.94   7.604    108
    680.31   7.597    131
    678.44   7.576    833
    678.06   7.572    849
    676.56   7.555    996
    651.88   7.279    402
    650.06   7.259    480
    644.50   7.197    878
    642.75   7.177    791
    636.75   7.110    669
    634.88   7.089    582
    631.75   7.054    788
    629.94   7.034    785
    624.06   6.969    761
    622.38   6.950    778
    616.69   6.886    349
    615.00   6.867    316

in CDCl3

liquid film

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