4548-45-2

2-氯-5-硝基吡啶(4548-45-2)紅外圖譜(IR1)

產(chǎn)品名稱:2-氯-5-硝基吡啶

CAS:4548-45-2

分子式:C5H3ClN2O2

分子量: 158.54

InChI:InChI=1S/C5H3ClN2O2/c6-5-2-1-4(3-7-5)8(9)10/h1-3H

InChIKey: BAZVFQBTJPBRTJ-UHFFFAOYSA-N

Smiles:C1(Cl)=NC=C([N+]([O-])=O)C=C1

¹HNMR

IR1

IR2

Mass

MS-NW-4641          
2-chloro-5-nitropyridine
C5H3ClN2O2          (Mass of molecular ion:    158)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      25.0       1.0
      26.0       4.6
      28.0       4.2
      30.0      13.5
      36.0       1.5
      37.0       5.4
      38.0       6.0
      39.0       2.3
      46.0       2.1
      47.0       1.9
      48.0       1.1
      49.0       6.1
      50.0      36.9
      51.0      17.1
      52.0       4.7
      60.0       2.3
      61.0       2.6
      62.0       5.0
      63.0       2.2
      64.0       3.0
      73.0       5.8
      74.0       1.2
      75.0       7.5
      76.0      47.3
      77.0       7.3
      84.0       1.7
      85.0      46.9
      86.0       4.1
      87.0      15.2
      88.0       1.1
     100.0      18.0
     101.0       1.1
     102.0       5.8
     112.0     100.0
     113.0       6.2
     114.0      31.6
     115.0       1.9
     128.0       1.2
     141.0       1.1
     142.0       1.1
     158.0      59.4
     159.0       3.9
     160.0      19.7
     161.0       1.3

parameter in acetone

¹H NMR	300 MHz
C₅ H₃ Cl N₂ O₂	ca 7 wt% in acetone
2-chloro-5-nitropyridine

    Parameter     ppm  Hz

      D(A)         9.196
      D(B)         8.620
      D(C)         7.786
       J(A,B)          2.93
       J(A,C)          0.64
       J(B,C)          8.68
     
     GERIG,J.T. & REINHEIMER,J.D. ORG.MAGN.RESON. 1, 239 (1969)

     Hz     ppm     Int.

   2760.56   9.202    958
   2760.01   9.200    970
   2757.63   9.192   1000
   2757.08   9.190    992
   2591.87   8.640    755
   2588.95   8.630    732
   2583.18   8.611    810
   2580.27   8.601    783
   2340.34   7.801    998
   2339.80   7.799    997
   2331.66   7.772    932
   2331.13   7.770    930

KBr disc