4-Chloro-alpha,alpha,alpha-trifluoro-m-toluidine(320-51-4) ¹³C NMR

Product Name4-Chloro-alpha,alpha,alpha-trifluoro-m-toluidine

CAS 320-51-4

Molecular FormulaC7H5ClF3N

Molecular Weight195.57

InChIInChI=1S/C7H5ClF3N/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3H,12H2

InChIKey ASPDJZINBYYZRU-UHFFFAOYSA-N

SmilesC1(N)=CC=C(Cl)C(C(F)(F)F)=C1

Request For Quotation

4-Chloro-alpha,alpha,alpha-trifluoro-m-toluidine(320-51-4) <sup>13</sup>C NMR
Mass

MS-NW-7104          
4-chloro-3-(trifluoromethyl)aniline
C7H5ClF3N           (Mass of molecular ion:    195)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      28.0       3.8
      31.0       1.2
      37.0       1.8
      38.0       2.1
      39.0       2.6
      41.0       3.8
      44.5       1.1
      45.5       1.1
      50.0       1.4
      51.0       1.1
      52.0       3.3
      57.0       1.3
      61.0       2.3
      62.0       3.9
      63.0       8.4
      64.0       2.5
      65.0       1.9
      69.0       2.1
      70.0       1.1
      70.5       1.7
      73.0       2.1
      74.0       1.5
      75.0       2.8
      80.0       8.3
      81.0       1.5
      83.0       2.4
      88.0       3.0
      89.0       1.8
      90.0       3.9
      91.0       2.1
      97.5       2.7
      99.0       5.0
     101.0       1.5
     110.0       1.1
     113.0       5.5
     114.0       1.8
     120.0       2.9
     125.0       1.2
     132.0       5.6
     133.0       3.7
     139.0       1.5
     140.0       7.7
     141.0       1.0
     143.0       1.1
     145.0       8.8
     147.0       3.6
     148.0      17.4
     149.0       1.6
     150.0       5.7
     159.0       1.1
     160.0      11.6
     161.0       1.1
     167.0       1.7
     174.0       2.5
     175.0       3.9
     176.0      13.9
     177.0       2.5
     178.0       4.5
     179.0       1.1
     194.0       2.7
     195.0     100.0
     196.0       9.1
     197.0      33.3
     198.0       2.9

400 MHz in CDCl3

4-Chloro-alpha,alpha,alpha-trifluoro-m-toluidine(320-51-4) <sup>13</sup>C NMR

¹H NMR	399.65 MHz
C₇ H₅ Cl F₃ N	0.042 g : 0.5 ml CDCl₃
4-chloro-3-(trifluoromethyl)aniline

    Assign.     Shift(ppm)

      A             7.221
      B             6.950
      C             6.718
      D             3.83

     Hz     ppm     Int.

   2890.50   7.233    717
   2890.14   7.232    732
   2886.84   7.224     51
   2881.96   7.212    779
   2881.59   7.211    791
   2779.17   6.955    970
   2776.37   6.948   1000
   2770.26   6.932     22
   2690.92   6.734    493
   2690.31   6.732    499
   2688.11   6.727    469
   2687.50   6.725    461
   2682.37   6.712    459
   2681.76   6.711    468
   2679.57   6.705    429
   2678.96   6.704    423
   1531.74   3.833    283

in CDCl3