121-50-6

3-氨基-4-氯三氟甲苯(121-50-6)红外图谱(IR1)

产品名称:3-氨基-4-氯三氟甲苯

CAS:121-50-6

分子式:C7H5ClF3N

分子量: 195.57

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

InChIKey: VKTTYIXIDXWHKW-UHFFFAOYSA-N

Smiles:C1(N)=CC(C(F)(F)F)=CC=C1Cl

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-8897          
6-chloro-alpha,alpha,alpha-trifluoro-m-toluidine
C7H5ClF3N           (Mass of molecular ion:    195)

   Source Temperature: 280 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      28.0       1.6
      38.0       1.5
      39.0       1.5
      41.0       1.1
      52.0       2.7
      57.0       1.1
      61.0       1.0
      62.0       2.2
      63.0       6.0
      64.0       1.8
      65.0       1.5
      69.0       1.1
      70.5       1.1
      73.0       1.3
      75.0       2.1
      80.0       7.2
      83.0       1.3
      88.0       2.4
      89.0       1.3
      90.0       3.4
      91.0       1.2
      97.5       1.9
      99.0       2.0
     109.0       1.3
     113.0       4.7
     114.0       1.5
     120.0       2.4
     132.0       6.1
     133.0       2.7
     139.0       1.5
     140.0       9.2
     141.0       1.1
     145.0       7.1
     147.0       3.0
     148.0      10.5
     149.0       1.0
     150.0       3.3
     158.0       1.4
     159.0       1.3
     160.0      13.2
     161.0       2.7
     167.0       1.3
     174.0       1.5
     175.0       3.8
     176.0      13.2
     177.0       2.3
     178.0       4.2
     194.0       2.3
     195.0     100.0
     196.0       8.9
     197.0      32.5
     198.0       2.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₅ Cl F₃ N	0.04 ml : 0.5 ml CDCl₃
6-chloro-alpha,alpha,alpha-trifluoro-m-toluidine

    Assign.     Shift(ppm)

      A             7.32
      B             6.956
      C             6.93
      D             4.21

     Hz     ppm     Int.

    659.81   7.368    217
    659.00   7.359    159
    651.88   7.279    322
    651.13   7.271    254
    625.81   6.988    112
    625.13   6.981    229
    624.44   6.973    353
    623.75   6.965    670
    623.13   6.958   1000
    622.44   6.950    787
    621.06   6.935    151
    620.38   6.927    119
    615.88   6.877     83
    615.25   6.870    201
    614.56   6.862    207
    613.88   6.855    128
    613.13   6.847    143
    612.44   6.839    136
    611.75   6.831     60
    377.25   4.213    104

in CDCl3