1190-09-6

(3-BROMOPROPYL)PHOSPHONIC ACID(1190-09-6) IR1

Product Name(3-BROMOPROPYL)PHOSPHONIC ACID

CAS 1190-09-6

Molecular FormulaC3H8BrO3P

Molecular Weight202.97

InChIInChI=1S/C3H8BrO3P/c4-2-1-3-8(5,6)7/h1-3H2,(H2,5,6,7)

InChIKey CXOIECRVHUDBSA-UHFFFAOYSA-N

SmilesP(CCCBr)(=O)(O)O

Request For Quotation

(3-BROMOPROPYL)PHOSPHONIC ACID(1190-09-6) IR1
Mass

MS-IW-8621          
(3-bromopropyl)phosphonic acid
C3H8BrO3P           (Mass of molecular ion:    202)

   Source Temperature: 240 °C
   Sample Temperature: 210 °C
   Direct, 75 eV

      15.0       1.0
      17.0       3.3
      18.0      16.7
      19.0       1.3
      26.0       4.0
      27.0      11.7
      28.0      30.2
      29.0       6.6
      30.0       1.1
      31.0      15.0
      36.0       1.3
      37.0       1.8
      38.0       3.6
      39.0      21.7
      39.5       1.8
      40.0      10.7
      40.5       1.8
      41.0      58.5
      42.0      88.6
      43.0       4.8
      44.0       1.2
      45.0       5.0
      47.0      13.7
      48.0       2.4
      55.0       5.7
      57.0       9.6
      58.0      10.3
      63.0       1.3
      64.0       4.2
      65.0      39.7
      66.0       2.3
      78.0       2.7
      79.0      33.5
      80.0      95.1
      81.0      36.8
      82.0     100.0
      83.0       1.5
      91.0       2.3
      92.0      44.7
      93.0       3.6
      94.0      15.5
      96.0      89.7
      97.0       1.9
     103.0       1.8
     104.0       8.4
     105.0       5.1
     109.0       1.0
     121.0      45.7
     122.0      56.9
     123.0      13.3
     128.0       1.0
     168.0       1.3
     169.0       1.1
     185.0       1.4

400 MHz in DMSO-d6

(3-BROMOPROPYL)PHOSPHONIC ACID(1190-09-6) IR1

¹H NMR	399.65 MHz
C₃ H₈ Br O₃ P	0.038 g : 0.5 ml DMSO-d₆
(3-bromopropyl)phosphonic acid

    Assign.     Shift(ppm)

      A            10.3
      B             3.594
      C             1.991
      D             1.670

     Hz     ppm     Int.

   4106.29  10.275    246
   1443.48   3.612    486
   1436.77   3.596   1000
   1430.05   3.579    503
    816.65   2.044     70
    809.94   2.027    167
    804.29   2.013    171
    802.31   2.008    201
    800.93   2.005    158
    799.26   2.000    226
    798.19   1.998    220
    794.22   1.988    253
    792.69   1.984    212
    791.02   1.980    200
    787.81   1.972    193
    786.13   1.968     93
    782.78   1.959    180
    776.06   1.942     80
    683.90   1.712    301
    678.71   1.699    196
    675.81   1.692    264
    673.83   1.687    192
    668.18   1.672    263
    665.89   1.667    324
    660.71   1.654    197
    657.81   1.646    274
    655.82   1.641    191
    650.18   1.627    243

in DMSO-d6