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METHYLENEDIPHOSPHONIC ACID

Product Name METHYLENEDIPHOSPHONIC ACID

CAS1984-15-2

MFCH6O6P2

MW176

¹³CNMR

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

    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

    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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