2,5-Dichloronitrobenzene(89-61-2) IR2

Product Name2,5-Dichloronitrobenzene

CAS 89-61-2

Molecular FormulaC6H3Cl2NO2

Molecular Weight192

InChIInChI=1S/C6H3Cl2NO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H

InChIKey RZKKOBGFCAHLCZ-UHFFFAOYSA-N

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

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Mass

MS-NW-1853          
1,4-dichloro-2-nitrobenzene
C6H3Cl2NO2          (Mass of molecular ion:    191)

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

      26.0       1.2
      28.0       6.4
      30.0      94.8
      35.0       1.6
      36.0       2.9
      37.0      14.1
      38.0       8.5
      39.0       1.6
      46.0       2.2
      47.0       2.7
      48.0       1.5
      49.0       7.7
      50.0      26.3
      51.0       4.2
      54.5       1.2
      60.0       3.8
      61.0       8.7
      62.0       7.0
      63.0      11.1
      64.0       1.4
      71.0       1.0
      72.0       4.3
      73.0      23.5
      74.0      74.3
      75.0      56.3
      76.0       4.3
      83.0       3.6
      84.0      18.9
      85.0      13.0
      86.0       7.2
      87.0       4.9
      88.0       1.6
      97.0       3.2
      98.0       2.2
      99.0       1.0
     107.0       2.2
     108.0       4.5
     109.0     100.0
     110.0      23.2
     111.0      32.8
     112.0       7.4
     118.0       1.0
     119.0       2.5
     121.0       1.6
     124.0       1.4
     126.0       1.8
     128.0       1.0
     133.0      91.0
     134.0       5.2
     135.0      58.7
     136.0       3.2
     137.0       9.7
     144.0       1.5
     145.0      85.1
     146.0       6.7
     147.0      53.8
     148.0       3.8
     149.0       8.6
     161.0       9.4
     163.0       6.3
     165.0       1.0
     175.0       2.5
     177.0       1.6
     191.0      65.2
     192.0       4.6
     193.0      42.2
     194.0       3.0
     195.0       6.9

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₃ Cl₂ N O₂	0.043 g : 0.5 ml CDCl₃
1,4-dichloro-2-nitrobenzene

    Assign.     Shift(ppm)

      A             7.887
      B             7.51
     
     ASSIGNED BY C-H COSY.

     Hz     ppm     Int.

   3153.44   7.891    240
   3152.10   7.888    399
   3150.63   7.884    244
   3003.78   7.517    984
   3002.32   7.513   1000

¹H NMR	89.56 MHz
C₆ H₃ Cl₂ N O₂	0.048 g : 0.5 ml CDCl₃
1,4-dichloro-2-nitrobenzene

    Assign.     Shift(ppm)

      A             7.878
      B             7.51

     Hz     ppm     Int.

    707.00   7.895    222
    705.63   7.879    391
    704.25   7.864    244
    702.00   7.839     38
    701.19   7.830     30
    673.13   7.516   1000
    671.75   7.501    925
    666.31   7.440     32
    665.94   7.436     29
    665.06   7.426     27

in CDCl3

KBr disc

nujol mull

4880 A,100M,powder

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