2402-77-9

2,3-二氯吡啶(2402-77-9)红外图谱(IR1)

产品名称:2,3-二氯吡啶

CAS:2402-77-9

分子式:C5H3Cl2N

分子量: 147.99

InChI:InChI=1S/C5H3Cl2N/c6-4-2-1-3-8-5(4)7/h1-3H

InChIKey: MAKFMOSBBNKPMS-UHFFFAOYSA-N

Smiles:C1(Cl)=NC=CC=C1Cl

Mass

MS-NW-6373          
2,3-dichloropyridine
C5H3Cl2N            (Mass of molecular ion:    147)

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

      18.0       3.7
      26.0       3.6
      27.0       1.3
      28.0       1.8
      35.0       1.8
      36.0       3.6
      37.0       3.3
      38.0       2.8
      39.0       1.8
      44.0       1.2
      47.0       2.1
      48.0       1.1
      49.0       5.9
      50.0      15.7
      51.0      13.2
      52.0       2.8
      55.5       1.7
      60.0       3.3
      61.0       2.4
      62.0       4.1
      64.0       1.2
      72.0       1.0
      73.0       1.0
      73.5       1.4
      74.0       1.1
      74.5       1.0
      75.0       5.1
      76.0      33.6
      77.0       2.8
      84.0       4.4
      85.0      12.5
      86.0       4.3
      87.0       4.6
      88.0       1.2
      94.0       1.4
      96.0       1.0
     107.0       1.0
     110.0       1.5
     112.0      90.3
     113.0       5.8
     114.0      29.4
     115.0       1.9
     147.0     100.0
     148.0       6.4
     149.0      63.7
     150.0       4.3
     151.0      10.4

90 MHz in CDCl3

in CDCl3

parameter in DMSO-d6

¹H NMR	89.56 MHz
C₅ H₃ Cl₂ N	0.043 g : 0.5 ml CDCl₃
2,3-dichloropyridine

    Assign.     Shift(ppm)

      A             8.31
      B             7.78
      C             7.23
     
     J(A,B)=1.8HZ. J(A,C)=4.5HZ. J(B,C)=7.9HZ.

     Hz     ppm     Int.

    753.75   8.417     30
    753.38   8.413     32
    746.25   8.333    168
    745.81   8.328    167
    742.56   8.292    175
    736.81   8.228     41
    735.75   8.216     33
    705.75   7.881     32
    703.94   7.860     38
    702.06   7.839    756
    700.31   7.820    719
    694.19   7.752   1000
    692.44   7.732    935
    690.56   7.711     38
    690.44   7.710     38
    652.31   7.284    583
    647.75   7.233    332
    644.44   7.196    271
    642.00   7.169     39
    639.81   7.144    247

¹H NMR	300 MHz
C₅ H₃ Cl₂ N	30 % in DMSO
2,3-dichloropyridine

    Parameter     ppm  Hz

      D(A)         8.57
      D(B)         7.61
      D(C)         8.22
       J(A,B)          4.8
       J(A,C)          1.7
       J(B,C)          7.3
     
     BRUEGEL,W. Z.ELEKTROCHEM.(BER.BUNSENGES.PHYS.CHEM.)
     66, 159 (1962)

     Hz     ppm     Int.

   2574.27   8.581    925
   2572.59   8.575    966
   2569.48   8.565    970
   2567.79   8.559    981
   2470.56   8.235    919
   2468.89   8.230    900
   2463.26   8.211   1000
   2461.59   8.205    968
   2288.95   7.630    933
   2284.16   7.614    934
   2281.67   7.606    895
   2276.86   7.590    835

in CDCl3