26177-44-6

4-Bromobenzylamine hydrochloride(26177-44-6) IR1

Product Name4-Bromobenzylamine hydrochloride

CAS 26177-44-6

Molecular FormulaC7H9BrClN

Molecular Weight222.51

InChIInChI=1S/C7H8BrN.ClH/c8-7-3-1-6(5-9)2-4-7;/h1-4H,5,9H2;1H

InChIKey BVYUYDBWQMSOKM-UHFFFAOYSA-N

SmilesC1(CN)=CC=C(Br)C=C1.Cl

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4-Bromobenzylamine hydrochloride(26177-44-6) IR1
Mass

MS-NW-7148          
4-bromobenzylamine hydrochloride
C7H8BrN HCl         (Mass of molecular ion:    185)

   Source Temperature: 190 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      18.0       2.0
      27.0       1.7
      28.0      26.7
      29.0       8.9
      30.0      35.2
      35.0       4.5
      36.0      30.8
      37.0       1.7
      38.0      10.4
      39.0       4.4
      49.0       1.3
      50.0      12.0
      51.0      11.2
      51.5       1.6
      52.0       4.2
      52.5      11.4
      53.0       3.7
      54.0       1.4
      61.0       1.3
      62.0       2.6
      63.0       5.6
      64.0       1.3
      73.0       1.4
      74.0       5.6
      75.0       7.5
      76.0       6.9
      77.0      29.8
      78.0      13.7
      79.0      13.8
      80.0       1.2
      89.0       9.4
      90.0       8.8
      91.0       2.2
     103.0       1.1
     104.0       5.9
     105.0       3.9
     106.0     100.0
     107.0       8.6
     155.0       1.6
     156.0       1.7
     157.0       6.3
     158.0       1.9
     159.0       4.8
     169.0       8.6
     170.0       1.3
     171.0       8.4
     182.0       1.4
     184.0      33.5
     185.0      14.2
     186.0      32.1
     187.0      13.6
     188.0       1.1

400 MHz in DMSO-d6

4-Bromobenzylamine hydrochloride(26177-44-6) IR1

¹H NMR	399.65 MHz
C₇ H₈ Br N	0.035 g : 0.5 ml DMSO-d₆
4-bromobenzylamine hydrochloride

    Assign.     Shift(ppm)

      A             8.69
      B             7.613
      C             7.506
      D             3.995

     Hz     ppm     Int.

   3473.82   8.693    177
   3050.08   7.632     94
   3047.64   7.626    603
   3045.65   7.621    252
   3041.08   7.610    300
   3039.09   7.605    922
   3036.65   7.599    156
   3005.68   7.521    131
   3003.23   7.515    775
   3001.40   7.511    240
   2996.67   7.499    201
   2994.84   7.494    526
   2992.40   7.488     72
   1596.68   3.996   1000

KBr disc