709-49-9

2,4-Dinitroiodobenzene(709-49-9) IR1

Product Name2,4-Dinitroiodobenzene

CAS 709-49-9

Molecular FormulaC6H3IN2O4

Molecular Weight294

InChIInChI=1S/C6H3IN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H

InChIKey FXMKXMJLXRTQSW-UHFFFAOYSA-N

SmilesC1(I)=CC=C([N+]([O-])=O)C=C1[N+]([O-])=O

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2,4-Dinitroiodobenzene(709-49-9) IR1
Mass

MS-NW-9429          
1-iodo-2,4-dinitrobenzene
C6H3IN2O4           (Mass of molecular ion:    294)

   Source Temperature: 140 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      18.0       2.5
      28.0       1.9
      30.0      13.0
      37.0       1.3
      38.0       2.1
      50.0       1.9
      61.0       1.0
      62.0       2.4
      63.0       8.8
      73.0       2.1
      74.0      18.2
      75.0      43.8
      76.0       4.2
      77.0       2.3
      79.0       5.8
      91.0       5.3
      93.0       1.2
     107.0       5.9
     127.0       1.2
     201.0      13.2
     202.0      11.6
     218.0       6.5
     248.0      10.2
     264.0       3.0
     294.0     100.0
     295.0       7.5
     296.0       1.1

400 MHz in CDCl3

2,4-Dinitroiodobenzene(709-49-9) IR1

¹H NMR	399.65 MHz
C₆ H₃ I N₂ O₄	0.029 g : 0.5 ml CDCl₃
1-iodo-2,4-dinitrobenzene

    Assign.     Shift(ppm)

      A             8.683
      B             8.321
      C             8.123

     Hz     ppm     Int.

   3471.68   8.687    791
   3469.12   8.681    812
   3330.20   8.333    799
   3326.42   8.324     23
   3325.20   8.321     23
   3324.83   8.320     22
   3321.78   8.312   1000
   3251.83   8.137    666
   3249.27   8.131    646
   3247.31   8.126     26
   3247.07   8.125     26
   3245.85   8.122     24
   3243.16   8.116    543
   3240.60   8.109    527

in CDCl3