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Back ChemicalBook Home>CAS DataBase List>2402-77-9More Spectrum> 2,3-Dichloropyridine(2402-77-9) IR1

2,3-Dichloropyridine(2402-77-9) IR1

Molecular FormulaC5H3Cl2N

Molecular Weight147.99

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

InChIKey MAKFMOSBBNKPMS-UHFFFAOYSA-N

SmilesC1(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
    ChemicalStructure
        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
    ChemicalStructure
        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



KBr disk



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