2,4-Difluorobenzyl bromide(23915-07-3) MS

Product Name2,4-Difluorobenzyl bromide

CAS 23915-07-3

Molecular FormulaC7H5BrF2

Molecular Weight207.02

InChIInChI=1S/C7H5BrF2/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4H2

InChIKey IBLMYGXJKQIGSN-UHFFFAOYSA-N

SmilesC1(CBr)=CC=C(F)C=C1F

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Mass

MS-IW-7682          
alpha-bromo-2,4-difluorotoluene
C7H5BrF2            (Mass of molecular ion:    206)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      50.0       1.2
      51.0       1.5
      57.0       2.2
      63.0       1.1
      75.0       2.3
      77.0       2.7
      81.0       1.8
      93.0       1.2
      94.0       1.1
     101.0       7.6
     107.0       4.4
     125.0       3.8
     126.0       2.7
     127.0     100.0
     128.0       7.7
     206.0       2.4
     208.0       2.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₅ Br F₂	0.05 ml : 0.5 ml CDCl₃
alpha-bromo-2,4-difluorotoluene

    Assign.     Shift(ppm)

      A             7.358
      B             6.86
      C             6.81
      D             4.472

     Hz     ppm     Int.

   2952.51   7.388    101
   2952.15   7.387    102
   2946.17   7.372    113
   2943.97   7.367    218
   2937.62   7.351    219
   2935.30   7.345    130
   2929.08   7.330    119
   2750.24   6.882     80
   2749.02   6.879     81
   2747.68   6.876     98
   2746.58   6.873    101
   2740.97   6.859    131
   2738.40   6.852    176
   2732.67   6.838    203
   2730.10   6.832    190
   2723.88   6.816    168
   2723.02   6.814    176
   2721.68   6.811    130
   2720.46   6.808    138
   2714.23   6.792    138
   2711.67   6.786    114
   1786.99   4.472   1000

in CDCl3