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2-溴氯苯

产品名称 2-溴氯苯

CAS号694-80-4

分子式C6H4BrCl

分子量191.45

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  • Mass

    MS-NW-0837          
    o-bromochlorobenzene
    C6H4BrCl            (Mass of molecular ion:    190)
    

       Source Temperature: 280 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          36.0       1.0
          37.0       5.0
          37.5       1.1
          38.0       4.8
          39.0       1.4
          49.0       4.8
          50.0      23.8
          51.0       6.6
          55.0       3.3
          56.0       1.1
          61.0       1.8
          72.0       1.3
          73.0       4.3
          74.0      16.9
          75.0      47.0
          76.0       9.9
          77.0       1.5
          78.0       1.5
          79.0       1.4
          81.0       1.5
          84.0       3.3
          85.0       4.4
          86.0       1.2
          87.0       1.4
          95.0       3.5
          96.0       4.3
          97.0       1.2
         110.0       2.0
         111.0      63.6
         112.0       4.9
         113.0      19.5
         114.0       1.3
         155.0       1.7
         157.0       1.5
         190.0      78.7
         191.0       5.4
         192.0     100.0
         193.0       6.9
         194.0      24.3
         195.0       1.7
    

90 MHz in CDCl3

parameter in CDCl3


  • 1H NMR 89.56 MHz
    C6 H4 Br Cl 0.04 ml : 0.5 ml CDCl3
    o-bromochlorobenzene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.593 B 7.424 C 7.21 D 7.11

         Hz     ppm     Int.
    

        685.69   7.657    413
        685.31   7.652    460
        683.75   7.635    429
        682.88   7.625    476
        678.25   7.574    869
        676.19   7.551    626
        675.81   7.546    700
        671.56   7.499    298
        671.19   7.495    322
        669.13   7.472    585
        664.25   7.417    585
        663.38   7.408    650
        661.75   7.389    808
        661.44   7.386    743
        655.94   7.325    371
        653.94   7.302    481
        648.69   7.244   1000
        646.69   7.221    750
        642.63   7.176    877
        641.38   7.162    659
        640.13   7.148    825
        638.94   7.135    493
        635.06   7.091    631
        633.06   7.069    614
        627.81   7.010    227
        625.81   6.988    186
    


  • 1H NMR 300 MHz
    C6 H4 Br Cl 10 wt% in CCl4
    o-bromochlorobenzene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.369 D(B) 7.156 D(C) 7.027 D(D) 7.537 J(A,B) 8.01 J(A,C) 1.60 J(A,D) 0.32 J(B,C) 7.43 J(B,D) 1.55 J(C,D) 8.09 CASTELLANO,S. & KOSTELNIK,R. TETRAHEDRON LETT. 1967, 5211

         Hz     ppm     Int.
    

       2266.01   7.553    826
       2264.43   7.548    833
       2258.00   7.527    931
       2256.41   7.521    938
       2215.76   7.386    758
       2214.13   7.380    797
       2207.79   7.359    963
       2206.17   7.354   1000
       2155.39   7.185    486
       2153.79   7.179    495
       2147.95   7.160    823
       2146.35   7.154    808
       2140.03   7.133    578
       2138.41   7.128    541
       2116.18   7.054    663
       2114.51   7.048    654
       2108.18   7.027    747
       2107.04   7.023    648
       2106.55   7.022    706
       2100.74   7.002    418
       2099.09   6.997    398
    

in CDCl3



liquid film



4880 A,100M,liquid