2,4,6-Trifluoroaniline(363-81-5) Raman

Product Name2,4,6-Trifluoroaniline

CAS 363-81-5

Molecular FormulaC6H4F3N

Molecular Weight147.1

InChIInChI=1S/C6H4F3N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2

InChIKey BJSVKBGQDHUBHZ-UHFFFAOYSA-N

SmilesC1(N)=C(F)C=C(F)C=C1F

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2,4,6-Trifluoroaniline(363-81-5) Raman
Mass

MS-NW-7662          
2,4,6-trifluoroaniline
C6H4F3N             (Mass of molecular ion:    147)

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

      28.0       2.4
      31.0       3.0
      46.0       1.0
      50.0       4.1
      51.0       4.4
      52.0       2.6
      56.0       1.9
      57.0       2.1
      63.5       1.1
      68.0       1.3
      69.0       3.6
      70.0       3.9
      73.5       5.9
      74.0       1.2
      75.0       5.2
      76.0       3.3
      77.0       1.3
      80.0       1.6
      81.0       3.5
      82.0       1.2
      93.0       1.0
      94.0       1.0
      96.0       1.6
      99.0       7.2
     100.0      24.1
     101.0       5.5
     102.0       1.0
     107.0       5.2
     108.0       1.7
     116.0       1.3
     119.0      14.2
     120.0      11.5
     126.0       4.3
     127.0      16.5
     128.0       1.9
     129.0       1.0
     146.0       7.1
     147.0     100.0
     148.0       7.2

90 MHz in CDCl3

400 MHz in CDCl3

2,4,6-Trifluoroaniline(363-81-5) Raman

¹H NMR	89.56 MHz
C₆ H₄ F₃ N	0.048 g : 0.5 ml CDCl₃
2,4,6-trifluoroaniline

    Assign.     Shift(ppm)

      A             6.621
      B             3.50

     Hz     ppm     Int.

    614.13   6.858     39
    609.44   6.805     62
    608.25   6.792     25
    605.44   6.761     69
    601.44   6.716    580
    599.69   6.696    275
    594.69   6.641    361
    592.94   6.621   1000
    591.06   6.600    301
    586.06   6.544    316
    584.38   6.526    543
    580.38   6.481     63
    576.31   6.435     66
    571.69   6.384     40
    313.19   3.497    469

2,4,6-Trifluoroaniline(363-81-5) Raman

¹H NMR	399.65 MHz
C₆ H₄ F₃ N	0.037 g : 0.5 ml CDCl₃
2,4,6-trifluoroaniline

    Assign.     Shift(ppm)

      A             6.628
      B             3.55

     Hz     ppm     Int.

   2657.35   6.650    624
   2656.49   6.648    366
   2655.52   6.645    278
   2653.69   6.641     56
   2650.63   6.633    297
   2649.78   6.631    371
   2648.80   6.628   1000
   2647.83   6.626    393
   2646.85   6.623    293
   2641.97   6.611    269
   2641.11   6.609    345
   2640.26   6.607    613
   1420.04   3.554    129

KBr disc