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3,5-Dinitrobenzoic acid

Product Name 3,5-Dinitrobenzoic acid

CAS99-34-3

MFC7H4N2O6

MW212.12

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  • Mass 

    MS-NW-0474          
3,5-dinitrobenzoic acid
C7H4N2O6            (Mass of molecular ion:    212)


       Source Temperature: 200 °C
   Sample Temperature: 150 °C
   Direct, 75 eV


          18.0       1.9
      27.0       1.0
      28.0       2.6
      29.0       1.3
      30.0     100.0
      37.0       3.9
      38.0       5.9
      39.0       4.4
      44.0       1.7
      45.0       6.9
      46.0       2.5
      49.0       1.4
      50.0      16.9
      51.0       4.5
      52.0       6.0
      53.0       7.3
      55.0       2.5
      61.0       3.5
      62.0       7.0
      63.0      16.9
      64.0      14.3
      65.0       2.0
      66.0       3.2
      69.0       5.8
      73.0       5.6
      74.0      42.1
      75.0      70.5
      76.0       7.8
      77.0       1.1
      79.0       2.2
      80.0       2.8
      82.0       1.3
      90.0       1.5
      91.0       4.3
      92.0      11.7
      93.0       2.6
     101.0       4.9
     102.0      12.9
     103.0       3.9
     108.0       1.8
     119.0      43.6
     120.0      28.6
     121.0       4.2
     136.0      15.1
     137.0       1.4
     148.0       1.8
     149.0       3.6
     166.0      28.0
     167.0       2.5
     168.0       1.1
     182.0       1.3
     195.0       2.6
     196.0       3.0
     212.0      79.6
     213.0       7.1
     214.0       1.3

400 MHz in DMSO-d6

90 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C7 H4 N2 O6 0.039 g : 0.5 ml DMSO-d6
    3,5-dinitrobenzoic acid
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A            13.6
      B             9.026
      C             8.902
  

         Hz     ppm     Int.


       3609.85   9.033    245
   3607.65   9.028    484
   3605.45   9.022    270
   3561.12   8.911     23
   3559.11   8.906   1000
   3556.91   8.901    975


  • 1H NMR 89.56 MHz
    C7 H4 N2 O6 0.048 g : 0.5 ml CDCl3
    3,5-dinitrobenzoic acid
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A            13.
      B             9.014
      C             8.889
  

         Hz     ppm     Int.


        809.86   9.043    158
    807.62   9.018    310
    805.66   8.996    298
    797.17   8.901   1000
    795.02   8.877    670

in DMSO-d6



KBr disc



nujol mull



4880 A,150M,powder



ANION RADICAL, ELECTROREDUCTION IN DMF



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