2-Bromo-4-fluoroaniline(1003-98-1) IR1

Product Name2-Bromo-4-fluoroaniline

CAS 1003-98-1

Molecular FormulaC6H5BrFN

Molecular Weight190.01

InChIInChI=1S/C6H5BrFN/c7-5-3-4(8)1-2-6(5)9/h1-3H,9H2

InChIKey YLMFXCIATJJKQL-UHFFFAOYSA-N

SmilesC1(N)=CC=C(F)C=C1Br

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Mass

MS-IW-9274          
2-bromo-4-fluoroaniline
C6H5BrFN            (Mass of molecular ion:    189)

   Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      28.0       3.6
      31.0       3.4
      37.0       1.8
      38.0       2.2
      39.0       2.5
      41.0       1.0
      44.5       1.7
      50.0       1.7
      51.0       1.4
      52.0       5.6
      54.5      11.2
      55.0       5.4
      56.0       3.5
      57.0      11.1
      61.0       2.7
      62.0       3.7
      63.0       8.8
      64.0       2.0
      65.0       1.8
      80.0       1.4
      81.0       6.8
      82.0      15.1
      83.0      45.9
      84.0       5.2
      89.0       2.3
      90.0      11.7
      91.0       1.2
      94.5       8.2
      95.5       8.0
     108.0       3.4
     109.0      15.3
     110.0      43.8
     111.0       5.0
     161.0       2.8
     163.0       2.7
     188.0       1.2
     189.0     100.0
     190.0       8.1
     191.0      97.3
     192.0       6.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₅ Br F N	0.05 ml : 0.5 ml CDCl₃
2-bromo-4-fluoroaniline

    Assign.     Shift(ppm)

      A             7.150
      B             6.829
      C             6.659
      D             3.92

     Hz     ppm     Int.

   2863.04   7.164    914
   2860.23   7.157    921
   2854.98   7.144    892
   2852.05   7.137    924
   2739.75   6.856    519
   2736.82   6.849    507
   2731.69   6.836    664
   2730.83   6.834    743
   2728.76   6.828    624
   2728.03   6.827    690
   2722.90   6.814    634
   2719.97   6.806    634
   2667.97   6.676    994
   2662.84   6.663   1000
   2659.18   6.654    800
   2654.05   6.641    779
   1568.48   3.925    470

in CDCl3