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2-Chloro-3-nitropyridine

Product Name 2-Chloro-3-nitropyridine

CAS5470-18-8

MFC5H3ClN2O2

MW158.54

¹³CNMR

Mass

MS-NW-7243          
2-chloro-3-nitropyridine
C5H3ClN2O2          (Mass of molecular ion:    158)

   Source Temperature: 200 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      26.0       3.8
      27.0       1.0
      28.0       3.0
      30.0       7.5
      36.0       1.1
      37.0       3.1
      38.0       4.8
      39.0       4.6
      46.0       1.2
      47.0       1.3
      49.0       4.0
      50.0      20.2
      51.0      18.3
      52.0       3.8
      61.0       3.4
      62.0       5.7
      63.0       1.8
      64.0       2.3
      75.0       4.1
      76.0      57.9
      77.0       5.2
      84.0       3.5
      85.0      20.6
      86.0       3.4
      87.0       6.9
     100.0       9.1
     102.0       3.0
     112.0     100.0
     113.0       6.2
     114.0      32.7
     115.0       2.0
     158.0      48.7
     159.0       3.6
     160.0      16.0
     161.0       1.2

90 MHz in CDCl3

parameter in acetone

¹H NMR	89.56 MHz
C₅ H₃ Cl N₂ O₂	0.042 g : 0.5 ml CDCl₃
2-chloro-3-nitropyridine

    Assign.     Shift(ppm)

      A             8.644
      B             8.251
      C             7.507
     
     J(A,B)=1.8HZ
     J(A,C)=4.7HZ
     J(B,C)=8.0HZ

     Hz     ppm     Int.

    777.56   8.683    455
    775.81   8.663    508
    772.88   8.630    509
    771.13   8.611    536
    744.31   8.311    570
    742.56   8.292    533
    736.31   8.222    714
    734.50   8.202    651
    678.25   7.574   1000
    676.38   7.553     64
    675.75   7.546     64
    673.56   7.521    949
    670.25   7.484    828
    668.38   7.463     60
    667.19   7.450     64
    665.50   7.431    754

¹H NMR	300 MHz
C₅ H₃ Cl N₂ O₂	ca 7 wt% in acetone
2-chloro-3-nitropyridine

    Parameter     ppm  Hz

      D(A)         8.702
      D(B)         7.733
      D(C)         8.473
       J(A,B)          4.75
       J(A,C)          1.73
       J(B,C)          7.97
     
     GERIG,J.T. & REINHEIMER,J.D. ORG.MAGN.RESON. 1, 239 (1969)

     Hz     ppm     Int.

   2613.87   8.713    911
   2612.15   8.707    963
   2609.12   8.697    951
   2607.40   8.691    984
   2546.81   8.489    928
   2545.09   8.484    890
   2538.84   8.463   1000
   2537.12   8.457    952
   2326.17   7.754    954
   2321.42   7.738    934
   2318.21   7.727    899
   2313.46   7.712    860

in CDCl3

KBr disc

nujol mull

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