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2-氯-4-氟苯甲酸

产品名称 2-氯-4-氟苯甲酸

CAS号2252-51-9

分子式C7H4ClFO2

分子量174.56

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  • Mass

    MS-IW-5654          
    2-chloro-4-fluorobenzoic acid
    C7H4ClFO2           (Mass of molecular ion:    174)
    

       Source Temperature: 140 °C
       Sample Temperature: 110 °C
       Direct, 75 eV
    

          37.0       1.0
          45.0       1.2
          50.0       3.2
          57.0       1.6
          61.0       1.2
          62.0       1.0
          63.0       1.8
          64.5       1.1
          68.0       2.6
          69.0       1.3
          73.0       4.0
          74.0       4.9
          75.0       2.8
          78.5       2.4
          82.0       1.4
          83.0       2.0
          92.0       1.1
          93.0       5.5
          94.0       9.7
          95.0       4.0
         109.0       3.9
         111.0       1.5
         129.0      26.2
         130.0       2.4
         131.0       8.7
         146.0       1.0
         157.0     100.0
         158.0       7.6
         159.0      32.8
         160.0       2.5
         174.0      68.9
         175.0       5.3
         176.0      22.0
         177.0       1.8
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C7 H4 Cl F O2 0.043 g : 0.5 ml DMSO-d6
    2-chloro-4-fluorobenzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.934 B 7.535 C 7.323

         Hz     ppm     Int.
    

       3178.96   7.955    790
       3172.61   7.939    848
       3170.17   7.933    897
       3163.82   7.917    852
       3017.58   7.551    960
       3015.14   7.545    964
       3008.54   7.528    959
       3006.10   7.522   1000
       2936.52   7.348    590
       2933.84   7.342    549
       2928.22   7.327    754
       2927.73   7.326    760
       2925.78   7.321    677
       2925.29   7.320    682
       2919.68   7.306    537
       2916.99   7.299    532
    

in DMSO-d6



KBr disc



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