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1,3-二氟苯

CAS号372-18-9

分子式C6H4F2

分子量114.09

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  • Mass

    MS-NW-5902          
    m-difluorobenzene
    C6H4F2              (Mass of molecular ion:    114)
    

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

          31.0       3.4
          37.0       2.5
          38.0       2.6
          39.0       2.1
          43.0       1.3
          45.0       1.1
          49.0       1.0
          50.0       7.8
          51.0       1.4
          56.0       1.1
          57.0       8.3
          61.0       2.2
          62.0       2.6
          63.0      20.8
          64.0       3.2
          68.0       3.8
          69.0       2.4
          70.0       3.4
          74.0       2.4
          75.0       4.5
          81.0       3.5
          88.0      12.9
          93.0       1.5
          94.0       4.0
          95.0       2.6
         113.0       3.1
         114.0     100.0
         115.0       6.7
    

90 MHz in CDCl3

parameter in TMS


  • 1H NMR 89.56 MHz
    C6 H4 F2 0.04 ml : 0.5 ml CDCl3
    m-difluorobenzene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.27 B 7.05 to 6.63

         Hz     ppm     Int.
    

        667.81   7.457     88
        662.88   7.402     58
        661.25   7.384    249
        658.63   7.355    248
        656.13   7.327     72
        655.63   7.321     88
        654.69   7.311    191
        654.00   7.303    189
        652.38   7.285    349
        650.81   7.267    238
        650.00   7.258    146
        648.44   7.241    226
        647.63   7.232    132
        646.81   7.223    149
        646.06   7.214    218
        645.13   7.204    273
        644.31   7.195    456
        643.13   7.181     94
        638.31   7.128    239
        637.75   7.121    212
        628.81   7.022     68
        626.31   6.994    106
        624.38   6.972    123
        623.19   6.959    164
        622.44   6.950    277
        621.00   6.934    620
        620.31   6.927    641
        619.19   6.914    586
        617.69   6.897    399
        616.50   6.884    394
        614.31   6.860    981
        613.56   6.851    611
        613.06   6.846    600
        612.38   6.838    497
        609.88   6.810    849
        607.94   6.789   1000
        606.88   6.777    459
        605.69   6.763    402
        605.00   6.756    398
        604.00   6.745    284
        601.31   6.715    303
        600.75   6.708    268
        598.75   6.686    312
        597.94   6.677    134
        596.50   6.661    126
        596.00   6.655     96
    


  • 1H NMR 300 MHz
    C6 H4 F2 10 mol% in TMS
    m-difluorobenzene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 6.675 D(B) 6.727 D(C) 7.134 J(A,B) 2.45 J(A,B') 2.45 J(A,C) 0.33 J(A,X) 9.14 J(A,X') 9.14 J(B,B') 0.79 J(B,C) 8.39 J(B,X) 8.22 J(B,X') -0.93 J(B',C) 8.39 J(B',X) -0.93 J(B',X') 8.22 J(C,X) 6.45 J(C,X') 6.45 J(X,X') 0.0 LOEMKER,J.E. ET AL. J.PHYS.CHEM. 72, 991 (1968)

         Hz     ppm     Int.
    

       2155.43   7.185    105
       2154.88   7.183    104
       2148.64   7.162    325
       2147.74   7.159    182
       2146.78   7.156    272
       2142.24   7.141    180
       2140.22   7.134    592
       2138.92   7.130    202
       2134.02   7.113    260
       2131.93   7.106    304
       2125.90   7.086    153
       2125.60   7.085    153
       2028.35   6.761    265
       2027.17   6.757    487
       2025.93   6.753    318
       2024.88   6.750    534
       2020.07   6.734    527
       2019.32   6.731    795
       2018.40   6.728    554
       2017.63   6.725    607
       2016.70   6.722   1000
       2013.96   6.713    243
       2013.40   6.711    276
       2011.45   6.705    634
       2008.93   6.696    574
       2007.80   6.693    316
       2004.94   6.683    350
       2002.47   6.675    632
       2000.14   6.667    293
       1995.80   6.653    175
       1993.33   6.644    314
       1991.03   6.637    136
    

in CDCl3



liquid film



4880 A,200 M,liquid