140623-89-8

1-氟-2,6-二氯吡啶四氟硼酸盐[氟化试剂](140623-89-8)红外图谱(IR1)

产品名称:1-氟-2,6-二氯吡啶四氟硼酸盐[氟化试剂]

CAS:140623-89-8

分子式:C5H3BCl2F5N

分子量: 253.79

InChI:InChI=1S/C5H3Cl2FN.BF4/c6-4-2-1-3-5(7)9(4)8;2-1(3,4)5/h1-3H;/q+1;-1

InChIKey: JVYBYXWHPIEUOT-UHFFFAOYSA-N

Smiles:[B+3]([F-])([F-])([F-])[F-].F[N+]1=C(C=CC=C1Cl)Cl

Mass

MS-IW-7231          
2,6-dichloro-1-fluoropyridinium tetrafluoroborate
C5H3BCl2F5N         (Mass of molecular ion:    253)

   Source Temperature: 190 °C
   Sample Temperature: 230 °C
   Direct, 75 eV

      17.0       1.1
      18.0       6.8
      20.0       7.9
      26.0       2.9
      27.0       1.0
      28.0      31.1
      31.0       7.2
      33.0       2.2
      35.0       4.5
      36.0      26.7
      37.0       6.5
      38.0      11.7
      39.0       3.6
      44.0       3.9
      46.0       1.1
      47.0       2.2
      48.0      16.7
      49.0      65.5
      50.0      15.4
      51.0      13.9
      52.0       4.4
      55.5       1.6
      56.0       2.4
      57.0       5.0
      58.0       1.0
      60.0       4.7
      61.0       3.0
      62.0       5.4
      63.0       3.3
      64.0      14.9
      65.0       1.7
      67.0       2.1
      68.0       6.9
      69.0       8.0
      70.0       4.0
      72.0       3.5
      73.0       2.6
      73.5       1.5
      74.0       2.5
      74.5       1.4
      75.0      10.2
      76.0      43.7
      77.0       4.0
      82.0       4.1
      83.0       1.7
      84.0       6.8
      85.0      26.6
      86.0       3.8
      87.0       8.3
      88.0       3.6
      89.0       2.0
      91.0       1.0
      93.0       3.0
      94.0       4.2
      95.0       1.8
      96.0      15.7
      97.0       1.0
      98.0       1.2
     100.0       1.2
     102.0       3.3
     103.0       1.5
     104.0       1.6
     106.0       1.7
     107.0       2.2
     108.0       4.1
     110.0       4.5
     111.0       1.7
     112.0      85.9
     113.0       6.6
     114.0      54.3
     115.0       4.4
     118.0       1.5
     119.0       1.2
     120.0       1.2
     121.0       1.0
     127.0       1.0
     130.0       8.4
     131.0      16.8
     132.0       4.4
     133.0      10.5
     134.0      10.4
     138.0       1.0
     143.0       1.1
     146.0       3.7
     147.0      96.0
     148.0       8.5
     149.0     100.0
     150.0       8.6
     151.0      21.4
     152.0       2.5
     153.0       1.3
     165.0      10.6
     166.0       1.9
     167.0       7.5
     168.0       1.8
     169.0      11.0
     170.0       1.1
     171.0       3.1
     181.0       4.6
     183.0       5.3
     185.0       1.9
     187.0       1.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₅ H₃ B Cl₂ F₅ N	0.042 g : 0.5 ml DMSO-d₆
2,6-dichloro-1-fluoropyridinium tetrafluoroborate

    Assign.     Shift(ppm)

      A             7.947
      B             7.580

     Hz     ppm     Int.

   3184.90   7.970    189
   3184.53   7.969    227
   3176.84   7.950    464
   3169.15   7.930    244
   3168.78   7.929    295
   3033.24   7.590   1000
   3025.54   7.571    867

in DMSO-d6