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3-氯-4-羟基苯甲酸

产品名称 3-氯-4-羟基苯甲酸

CAS号3964-58-7

分子式C7H5ClO3

分子量172.57


  • Mass

    MS-NW-7896          
    3-chloro-4-hydroxybenzoic acid
    C7H5ClO3 1/2H2O     (Mass of molecular ion:    172)
    

       Source Temperature: 180 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          18.0       3.5
          27.0       1.0
          28.0       2.5
          29.0       1.2
          31.0       1.3
          37.0       2.9
          38.0       3.3
          39.0       4.3
          45.0       2.2
          49.0       1.8
          49.5       2.8
          50.0       2.2
          51.0       3.4
          52.0       1.6
          53.0       5.5
          55.0       1.0
          61.0       3.8
          62.0       7.2
          63.0      15.4
          64.0       4.0
          65.0       1.0
          72.0       5.1
          73.0       7.2
          74.0       1.9
          75.0       2.3
          77.5       2.0
          80.0       1.0
          81.0       1.1
          87.0       1.0
          91.0       7.0
          92.0       2.0
          99.0      11.8
         100.0       1.1
         101.0       4.1
         115.0       1.6
         119.0       1.6
         126.0       1.7
         127.0      15.9
         128.0       1.7
         129.0       5.3
         144.0       1.1
         155.0     100.0
         156.0       8.0
         157.0      32.3
         158.0       2.8
         172.0      75.6
         173.0       6.5
         174.0      25.0
         175.0       2.1
         189.0       1.2
         206.0       1.3
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C7 H5 Cl O3 0.038 g : 0.5 ml DMSO-d6
    3-chloro-4-hydroxybenzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.2 B 7.889 C 7.783 D 7.078

         Hz     ppm     Int.
    

       3154.31   7.893    963
       3152.11   7.888   1000
       3148.82   7.879     24
       3116.03   7.797    499
       3114.01   7.792    426
       3107.60   7.776    512
       3105.40   7.771    473
       2836.88   7.099     35
       2833.04   7.089    839
       2829.92   7.081     32
       2829.37   7.080     31
       2824.61   7.068    827
    

in CDCl3



KBr disc



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