2-Bromopropionic acid(598-72-1) IR1

Product Name2-Bromopropionic acid

CAS 598-72-1

Molecular FormulaC3H5BrO2

Molecular Weight152.97

InChIInChI=1S/C3H5BrO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)

InChIKey MONMFXREYOKQTI-UHFFFAOYSA-N

SmilesC(O)(=O)C(Br)C

Request For Quotation

2-Bromopropionic acid(598-72-1) IR1
Mass

MS-NW-8494          
2-bromopropionic acid
C3H5BrO2            (Mass of molecular ion:    152)

   Source Temperature: 260 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      14.0       1.1
      15.0       2.0
      18.0       1.3
      25.0       2.8
      26.0      24.7
      27.0      90.4
      28.0      64.5
      29.0     100.0
      30.0       2.9
      31.0       2.0
      41.0       1.0
      42.0       1.3
      43.0       8.4
      44.0       4.2
      45.0      45.7
      46.0       1.3
      53.0       1.8
      55.0      14.5
      56.0       6.3
      57.0       1.1
      64.0       1.0
      72.0       1.2
      73.0      38.5
      74.0       3.0
      79.0       4.0
      80.0       4.9
      81.0       4.1
      82.0       4.7
     106.0       1.6
     107.0      16.3
     108.0      30.2
     109.0      16.1
     110.0      27.8
     111.0       1.1
     152.0       5.5
     154.0       5.3

parameter in CDCl3

90 MHz in CDCl3

2-Bromopropionic acid(598-72-1) IR1

¹H NMR	300 MHz
C₃ H₅ Br O₂	0.04 ml : 0.5 ml CDCl₃
2-bromopropionic acid

    Parameter     ppm  Hz

      D(A)        11.50
     
      D(B)         4.407
      D(C)         1.855
       J(B,C)          6.9

     Hz     ppm     Int.

   3450.03  11.500    192
   1332.46   4.442     81
   1325.68   4.419    246
   1318.72   4.396    250
   1311.86   4.373     86
    559.96   1.867   1000
    553.09   1.844    982

2-Bromopropionic acid(598-72-1) IR1

¹H NMR	89.56 MHz
C₃ H₅ Br O₂	0.04 ml : 0.5 ml CDCl₃
2-bromopropionic acid

    Assign.     Shift(ppm)

      A            11.50
      B             4.407
      C             1.855
     
     J(B,C)=6.9HZ.

     Hz     ppm     Int.

   1030.00  11.501    146
    405.54   4.529     80
    398.54   4.450    241
    391.61   4.373    246
    384.69   4.296     93
    169.53   1.893   1000
    167.14   1.867     24
    162.61   1.816    936

in CDCl3