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METHYLENEDIPHOSPHONIC ACID

Product Name METHYLENEDIPHOSPHONIC ACID

CAS1984-15-2

MFCH6O6P2

MW176

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  • Mass 

    MS-NW-7086          
methylenediphosphonic acid
CH6O6P2             (Mass of molecular ion:    176)


       Source Temperature: 250 °C
   Sample Temperature: 280 °C
   Direct, 75 eV


          17.0       8.9
      18.0      36.8
      28.0       4.0
      29.0       3.3
      31.0       1.2
      33.0       2.2
      44.0       1.5
      45.0       2.3
      47.0      63.9
      48.0       2.4
      49.0       1.1
      61.0       1.3
      62.0       1.2
      63.0       1.7
      64.0       1.5
      65.0       1.4
      77.0       3.3
      78.0       2.6
      81.0       6.1
      91.0       2.1
      94.0       6.3
      95.0       1.6
      96.0       1.2
      98.0       2.3
     107.0       2.7
     110.0       1.4
     111.0       5.0
     123.0       1.5
     124.0       1.0
     125.0       1.2
     127.0       2.1
     137.0       7.4
     153.0       1.8
     157.0       2.5
     171.0       1.0
     173.0       9.4
     174.0       1.5
     187.0       3.9
     188.0       1.2
     189.0       1.7
     191.0       6.4
     200.0       1.2
     201.0       1.1
     203.0       2.9
     205.0       1.9
     207.0       3.1
     217.0      30.9
     220.0       2.9
     221.0       1.0
     233.0       2.1
     237.0       5.7
     250.0       5.2
     251.0       1.4
     252.0       1.0
     253.0      22.2
     254.0       2.6
     264.0       1.8
     278.0       5.1
     279.0       1.0
     280.0     100.0
     281.0       2.8
     282.0       2.5

90 MHz in D2O

400 MHz in D2O


  • 1H NMR 89.56 MHz
    C H6 O6 P2 0.051 g : 0.5 ml D2O
    methylenediphosphonic acid
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      B             2.527
     
     J(B,P-31)=20.8HZ
     THE SOLVENT SIGNAL REMOVED.
  

         Hz     ppm     Int.


        247.25   2.761    494
    244.06   2.726     29
    226.44   2.529   1000
    223.00   2.490     52
    222.44   2.484     42
    221.75   2.476     34
    221.38   2.472     31
    221.00   2.468     29
    220.88   2.467     29
    220.56   2.463     29
    208.44   2.328     28
    205.56   2.296    501


  • 1H NMR 399.65 MHz
    C H6 O6 P2 0.042 g : 0.5 ml D2O
    methylenediphosphonic acid
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             2.525
  

         Hz     ppm     Int.


       1030.15   2.578    508
   1009.28   2.526   1000
   1004.64   2.514     24
    988.40   2.474    510

in D2O



KBr disc



nujol mull



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