700-17-4

2,3,5,6-Tetrafluoroaniline(700-17-4) MS

Product Name2,3,5,6-Tetrafluoroaniline

CAS 700-17-4

Molecular FormulaC6H3F4N

Molecular Weight165.09

InChIInChI=1S/C6H3F4N/c7-2-1-3(8)5(10)6(11)4(2)9/h1H,11H2

InChIKey SPSWJTZNOXMMMV-UHFFFAOYSA-N

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

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¹HNMR

IR1

IR2

2,3,5,6-Tetrafluoroaniline(700-17-4) MS
Mass

MS-NW-7082          
2,3,5,6-tetrafluoroaniline
C6H3F4N             (Mass of molecular ion:    165)

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

      17.0       1.4
      18.0       7.0
      28.0       7.4
      31.0       9.5
      37.0       1.8
      46.0       2.4
      51.0       3.0
      52.0       1.0
      55.0       1.1
      56.0       2.5
      57.0       2.1
      61.0       1.0
      64.0       2.1
      68.0       3.9
      69.0       6.5
      70.0       5.1
      72.5       1.3
      74.0       1.9
      75.0       7.4
      76.0       3.1
      79.0       1.7
      80.0       1.6
      82.5       6.2
      83.0       1.0
      87.0       2.5
      88.0       9.5
      93.0       3.0
      94.0       4.7
      95.0       5.2
      96.0       1.3
      98.0       1.1
      99.0      10.9
     100.0       2.1
     106.0       1.5
     114.0       1.7
     117.0       2.6
     118.0      22.4
     119.0       7.1
     125.0       4.8
     126.0       2.9
     134.0       5.3
     137.0      16.4
     138.0       8.3
     144.0       3.6
     145.0       9.6
     146.0       2.1
     164.0       5.0
     165.0     100.0
     166.0       7.4

400 MHz in CDCl3

2,3,5,6-Tetrafluoroaniline(700-17-4) MS

¹H NMR	399.65 MHz
C₆ H₃ F₄ N	0.042 g : 0.5 ml CDCl₃
2,3,5,6-tetrafluoroaniline

    Assign.     Shift(ppm)

      A             6.399
      B             4.02

     Hz     ppm     Int.

   2575.07   6.444    256
   2567.87   6.426    515
   2564.82   6.418    519
   2560.67   6.408    292
   2557.62   6.400   1000
   2554.57   6.393    299
   2550.42   6.382    537
   2547.36   6.374    523
   2544.43   6.367     37
   2542.97   6.363     44
   2540.16   6.356    273
   1606.69   4.021    303

KBr disc