2,6-Difluorobenzyl bromide(85118-00-9) IR1

Product Name2,6-Difluorobenzyl bromide

CAS 85118-00-9

Molecular FormulaC7H5BrF2

Molecular Weight207.02

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

InChIKey LSXJPJGBWSZHTM-UHFFFAOYSA-N

SmilesC1(F)=CC=CC(F)=C1CBr

Request For Quotation

Mass

MS-KW-0417          
alpha-bromo-2,6-difluorotoluene
C7H5BrF2            (Mass of molecular ion:    206)

   Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      31.0       1.2
      50.0       1.5
      51.0       1.9
      57.0       3.0
      63.0       1.4
      63.5       1.6
      75.0       2.3
      77.0       4.0
      81.0       2.1
      93.0       1.0
      94.0       1.0
     101.0       7.5
     107.0       4.2
     125.0       3.3
     126.0       1.9
     127.0     100.0
     128.0       7.8
     206.0       3.3
     208.0       3.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇H₅BrF₂	0.040 g : 0.5 ml CDCl₃
alpha-bromo-2,6-difluorotoluene

    Assign.     Shift(ppm)

     A           7.279
     B           6.906
     C           4.531

     Hz     ppm     Int.

   2925.18   7.317     74
   2918.71   7.301    150
   2916.75   7.296    125
   2912.24   7.285     90
   2910.28   7.280    295
   2908.33   7.275     99
   2903.81   7.264    124
   2901.86   7.259    176
   2895.39   7.243     86
   2772.71   6.936     52
   2771.12   6.932     71
   2767.71   6.924    382
   2764.04   6.914     65
   2762.70   6.911     86
   2760.26   6.905    439
   2756.96   6.897     74
   2755.38   6.893     56
   2751.84   6.884    325
   2748.42   6.875     47
   2746.95   6.872     37
   1812.14   4.533    636
   1811.16   4.531   1000
   1810.06   4.528    593

in CDCl3