19755-53-4

2-溴-3-硝基吡啶(19755-53-4)红外图谱(IR2)

产品名称:2-溴-3-硝基吡啶

CAS:19755-53-4

分子式:C5H3BrN2O2

分子量: 202.99

InChI:InChI=1S/C5H3BrN2O2/c6-5-4(8(9)10)2-1-3-7-5/h1-3H

InChIKey: ZCCUFLITCDHRMG-UHFFFAOYSA-N

Smiles:C1(Br)=NC=CC=C1[N+]([O-])=O

Mass

MS2015-05170CW      
2-bromo-3-nitropyridine
C5H3BrN2O2          (Mass of molecular ion:    202)

   Source Temperature: 245 °C
   Sample Temperature:  25 °C
   Direct, 70 eV

      26.0       2.4
      30.0       3.6
      37.0       1.9
      38.0       3.2
      39.0       2.5
      49.0       3.2
      50.0      17.6
      51.0      10.6
      52.0       2.5
      64.0       1.5
      65.0       1.0
      75.0       5.0
      76.0      54.9
      77.0      15.6
      79.0       1.0
      81.0       1.0
     105.0       1.5
     106.0       3.6
     107.0       1.5
     108.0       3.4
     128.0       1.6
     129.0       9.0
     130.0       2.9
     131.0       8.7
     132.0       1.4
     144.0       8.8
     146.0       8.6
     156.0     100.0
     157.0       6.0
     158.0      97.8
     159.0       5.6
     202.0      78.9
     203.0       5.1
     204.0      77.9
     205.0       5.1

in CDCl3

parameter in acetone

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

    Parameter     ppm  Hz

      D(A)         8.669
      D(B)         7.744
      D(C)         8.394
       J(A,B)          4.78
       J(A,C)          1.70
       J(B,C)          8.02
     
     GERIG,J.T. & REINHEIMER,J.D. ORG.MAGN.RESON. 1, 239 (1969)

     Hz     ppm     Int.

   2603.97   8.680    913
   2602.28   8.674    957
   2599.19   8.664    954
   2597.50   8.658    980
   2523.14   8.410    918
   2521.44   8.405    888
   2515.12   8.384   1000
   2513.42   8.378    960
   2329.50   7.765    957
   2324.72   7.749    935
   2321.48   7.738    893
   2316.71   7.722    853

in CDCl3