3-Bromobenzyl bromide (823-78-9) IR2

Product Name3-Bromobenzyl bromide

CAS 823-78-9

Molecular FormulaC7H6Br2

Molecular Weight249.93

InChIInChI=1S/C7H6Br2/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2

InChIKey ZPCJPJQUVRIILS-UHFFFAOYSA-N

SmilesC1(Br)=CC=CC(CBr)=C1

Request For Quotation

3-Bromobenzyl bromide (823-78-9) IR2
Mass

MS-NW-7630          
m-bromobenzyl bromide
C7H6Br2             (Mass of molecular ion:    248)

   Source Temperature: 260 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      37.0       1.7
      38.0       3.8
      39.0       8.0
      40.0       1.2
      43.0       1.7
      44.0       4.5
      44.5       1.0
      45.0       3.3
      50.0       4.4
      51.0       4.3
      61.0       2.4
      62.0       6.3
      63.0      13.6
      64.0       4.5
      79.0       1.2
      80.0       1.4
      81.0       1.2
      82.0       1.5
      84.0       2.4
      84.5       3.2
      85.0       2.8
      85.5       3.1
      86.0       1.4
      87.0       1.2
      89.0      21.1
      90.0      41.5
      91.0       3.8
     125.0       1.3
     143.0       1.0
     169.0     100.0
     170.0       8.4
     171.0      97.1
     172.0       7.7
     248.0       7.4
     249.0       1.4
     250.0      14.3
     251.0       1.5
     252.0       7.1

400 MHz in CDCl3

3-Bromobenzyl bromide (823-78-9) IR2

¹H NMR	399.65 MHz
C₇ H₆ Br₂	0.053 g : 0.5 ml CDCl₃
m-bromobenzyl bromide

    Assign.     Shift(ppm)

      A             7.537
      B             7.418
      C             7.307
      D             7.204
      E             4.412
     
     J(A,B)=1.8HZ
     J(A,C)=1.8HZ
     J(B,C)=1.1HZ
     J(B,D)=7.9HZ
     J(C,D)=7.7HZ

     Hz     ppm     Int.

   3014.40   7.543    159
   3013.92   7.542    164
   3012.33   7.538    274
   3010.62   7.534    165
   3010.25   7.533    173
   2970.46   7.433    119
   2969.36   7.430    125
   2968.51   7.428    109
   2967.41   7.426    106
   2962.52   7.413    133
   2961.43   7.411    142
   2960.57   7.408    131
   2959.47   7.406    125
   2926.03   7.322     97
   2925.42   7.320     77
   2924.93   7.319    115
   2924.32   7.318    112
   2923.71   7.316     73
   2923.22   7.315     94
   2918.33   7.303    141
   2917.72   7.301    107
   2917.24   7.300    153
   2916.63   7.298    164
   2915.53   7.296    122
   2886.11   7.222    205
   2878.42   7.203    296
   2870.48   7.183    122
   1763.43   4.413   1000

in CDCl3