14468-40-7

2-(Trifluoromethyl)benzothiazole(14468-40-7) IR1

Product Name2-(Trifluoromethyl)benzothiazole

CAS 14468-40-7

Molecular FormulaC8H4F3NS

Molecular Weight203.18

InChIInChI=1S/C8H4F3NS/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-4H

InChIKey TWIPCCMPIAFOKZ-UHFFFAOYSA-N

SmilesS1C2=CC=CC=C2N=C1C(F)(F)F

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¹HNMR

IR1

2-(Trifluoromethyl)benzothiazole(14468-40-7) IR1
Mass

MS-NW-5598          
2-(trifluoromethyl)benzothiazole
C8H4F3NS            (Mass of molecular ion:    203)

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

      28.0       1.5
      37.0       1.5
      38.0       2.1
      39.0       4.0
      45.0       2.9
      50.0       2.6
      51.0       1.3
      58.0       5.0
      61.0       1.0
      62.0       2.0
      63.0       7.2
      64.0       2.4
      69.0      19.5
      70.0       1.1
      74.0       1.3
      75.0       1.7
      81.0       2.0
      82.0       8.2
      90.0       2.1
      93.0       1.1
     102.0       1.7
     107.0       2.0
     108.0      29.8
     109.0       2.4
     110.0       1.4
     113.0       1.3
     133.0       1.4
     134.0       3.6
     153.0      13.1
     154.0       1.2
     184.0       7.4
     203.0     100.0
     204.0      10.0
     205.0       5.0

90 MHz in CDCl3

2-(Trifluoromethyl)benzothiazole(14468-40-7) IR1

¹H NMR	89.56 MHz
C₈ H₄ F₃ N S	0.04 ml : 0.5 ml CDCl₃
2-(trifluoromethyl)benzothiazole

    Assign.     Shift(ppm)

      A             8.189
      B             7.962
      C             7.62
      D             7.53

     Hz     ppm     Int.

    739.00   8.252    230
    738.44   8.246    247
    736.31   8.222    254
    735.06   8.208    242
    733.69   8.193    177
    730.88   8.161    263
    729.56   8.147    334
    728.88   8.139    351
    719.06   8.029    284
    718.38   8.022    276
    716.88   8.005    284
    714.13   7.974    206
    713.13   7.963    302
    711.88   7.949    366
    709.63   7.924    471
    708.94   7.916    427
    705.63   7.879    112
    690.63   7.712     91
    688.38   7.687    265
    683.44   7.632    839
    681.63   7.611    809
    681.25   7.607    741
    677.63   7.567   1000
    674.38   7.530    485
    673.75   7.523    632
    672.38   7.508    496
    667.19   7.450    113

liquid film