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1,2-二氟苯

CAS号367-11-3

分子式C6H4F2

分子量114.09

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  • Mass

    MS-NW-9256          
    o-difluorobenzene
    C6H4F2              (Mass of molecular ion:    114)
    

       Source Temperature: 240 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          31.0       1.3
          37.0       1.0
          38.0       1.5
          39.0       1.0
          50.0       4.5
          57.0       5.7
          62.0       1.8
          63.0      13.4
          64.0       2.2
          68.0       2.1
          69.0       1.2
          70.0       2.0
          74.0       1.1
          75.0       3.2
          81.0       2.3
          88.0      14.2
          94.0       2.4
          95.0       1.6
         113.0       2.7
         114.0     100.0
         115.0       6.6
    

400 MHz in CDCl3

parameter in CCl4


  • 1H NMR 399.65 MHz
    C6 H4 F2 0.05 ml : 0.5 ml CDCl3
    o-difluorobenzene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.124 B 7.053

         Hz     ppm     Int.
    

       2867.43   7.175     59
       2866.70   7.174     65
       2863.40   7.165    341
       2859.62   7.156    415
       2857.42   7.150    345
       2856.93   7.149    372
       2853.52   7.141    704
       2850.22   7.132    555
       2848.51   7.128    392
       2847.78   7.126    557
       2844.12   7.117   1000
       2841.19   7.110    510
       2839.36   7.105    309
       2838.38   7.103    333
       2834.84   7.094    525
       2831.42   7.085    200
       2828.00   7.077    189
       2826.05   7.072    276
       2824.34   7.068    692
       2823.00   7.064    794
       2822.14   7.062    831
       2820.68   7.058    857
       2819.09   7.054    481
       2817.99   7.052    810
       2817.63   7.051    823
       2815.80   7.046    591
       2814.58   7.043    699
       2813.48   7.040    377
       2812.74   7.039    491
       2811.89   7.036    327
       2811.04   7.034    361
       2808.96   7.029    120
       2807.74   7.026     77
       2807.01   7.024     63
       2804.81   7.019     54
    


  • 1H NMR 300 MHz
    C6 H4 F2 15 vol% in CCl4
    o-difluorobenzene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.017 D(B) 7.101 D(X) -25.567 J(A,A') 7.69 J(A,B) 8.30 J(A,B') 1.62 J(A,X) 4.43 J(A,X') -1.45 J(A',B) 1.62 J(A',B') 8.30 J(A',X) -1.45 J(A',X') 4.43 J(B,B') 0.24 J(B,X) 10.38 J(B,X') 7.93 J(B',X) 7.93 J(B',X') 10.38 J(X,X') -21.16 ABRAHAM,R.J. &.COOPER,M.A. J.CHEM.SOC. B 1968, 1094 F-19 REFERENCE : C6F3CL3

         Hz     ppm     Int.
    

       2149.11   7.164     22
       2148.48   7.162     25
       2144.96   7.150    231
       2141.21   7.137    311
       2139.05   7.130    241
       2138.49   7.128    252
       2136.77   7.123    235
       2135.29   7.118   1000
       2133.90   7.113    341
       2131.88   7.106    266
       2128.66   7.096    243
       2127.25   7.091    473
       2126.14   7.087    661
       2124.92   7.083    406
       2121.94   7.073    159
       2117.57   7.059    417
       2116.15   7.054    151
       2114.84   7.049    391
       2113.51   7.045    314
       2112.31   7.041    510
       2110.89   7.036    604
       2106.49   7.022    530
       2105.84   7.019    500
       2104.83   7.016    941
       2102.72   7.009    485
       2101.23   7.004    465
       2098.84   6.996    252
       2097.42   6.991    589
       2095.04   6.983    111
    

in CDCl3



liquid film



4880 A,200 M,liquid