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2-氯-4,5-二氟苯甲酸

产品名称 2-氯-4,5-二氟苯甲酸

CAS号110877-64-0

分子式C7H3ClF2O2

分子量192.55


  • Mass

    MS-IW-9090          
    2-chloro-4,5-difluorobenzoic acid
    C7H3ClF2O2          (Mass of molecular ion:    192)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          18.0       1.1
          28.0       3.5
          31.0       5.8
          36.0       1.4
          37.0       2.9
          38.0       1.0
          44.0       1.2
          45.0       5.3
          49.0       1.1
          50.0       3.3
          51.0       2.0
          56.0       2.6
          57.0       1.5
          61.0       7.3
          62.0      12.7
          63.0       5.1
          68.0       4.4
          73.0       2.2
          73.5       1.5
          74.0       3.3
          75.0       3.4
          79.0       1.0
          80.0       2.0
          81.0       6.6
          82.0       2.4
          87.5       2.8
          91.0       1.5
          92.0       4.1
          93.0       4.0
          96.0       1.8
          97.0      12.0
          98.0       1.3
          99.0       4.9
         100.0       2.9
         101.0       4.8
         102.0       1.0
         111.0       3.1
         112.0      21.3
         113.0       8.1
         128.0       1.2
         146.0       1.6
         147.0      38.9
         148.0       4.8
         149.0      12.5
         150.0       1.4
         157.0       1.6
         164.0       2.4
         175.0     100.0
         176.0       7.8
         177.0      32.3
         178.0       2.5
         192.0      80.9
         193.0       6.4
         194.0      26.3
         195.0       2.0
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C7 H3 Cl F2 O2 saturated in CDCl3
    2-chloro-4,5-difluorobenzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.0 B 7.933 C 7.357

         Hz     ppm     Int.
    

       4795.66  12.000     76
       3179.95   7.957    920
       3171.53   7.936    978
       3169.51   7.931    961
       3161.09   7.910    903
       2948.61   7.378    929
       2944.77   7.369     91
       2941.65   7.361   1000
       2938.72   7.354    958
       2935.24   7.345     86
       2931.95   7.337    942
    

in CDCl3



KBr disc



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