100-11-8

4-Nitrobenzyl bromide(100-11-8) IR1

Product Name4-Nitrobenzyl bromide

CAS 100-11-8

Molecular FormulaC7H6BrNO2

Molecular Weight216.03

InChIInChI=1S/C7H6BrNO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2

InChIKey VOLRSQPSJGXRNJ-UHFFFAOYSA-N

SmilesC1(CBr)=CC=C([N+]([O-])=O)C=C1

Request For Quotation

4-Nitrobenzyl bromide(100-11-8) IR1
Mass

MS-NW-4792          
4-nitrobenzyl bromide
C7H6BrNO2           (Mass of molecular ion:    215)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      28.0       1.4
      30.0      17.7
      38.0       1.7
      39.0       4.6
      40.0       1.0
      50.0       2.6
      51.0       3.7
      52.0       1.4
      62.0       2.8
      63.0       8.1
      64.0       3.7
      77.0       1.4
      78.0      22.7
      79.0       1.5
      89.0      16.8
      90.0      22.7
      91.0       1.8
     106.0      11.5
     107.0       1.0
     120.0       1.3
     136.0     100.0
     137.0       8.4
     169.0       1.1
     171.0       1.1
     215.0       3.5
     217.0       3.6

90 MHz in CDCl3

4-Nitrobenzyl bromide(100-11-8) IR1

¹H NMR	89.56 MHz
C₇ H₆ Br N O₂	0.043 g : 0.5 ml CDCl₃
4-nitrobenzyl bromide

    Assign.     Shift(ppm)

      A             8.191
      B             7.563
      C             4.520

     Hz     ppm     Int.

    741.19   8.276     38
    738.81   8.250    355
    736.75   8.227    126
    732.00   8.174    127
    729.88   8.150    492
    727.50   8.124     76
    683.75   7.635     55
    681.31   7.608    461
    679.13   7.583    133
    674.94   7.537     72
    674.50   7.532    106
    672.38   7.508    343
    670.44   7.486     34
    670.00   7.482     46
    404.88   4.521   1000
    402.56   4.495     51

in CDCl3