99-54-7

3,4-二氯硝基苯(99-54-7)红外图谱(IR3)

产品名称:3,4-二氯硝基苯

CAS:99-54-7

分子式:C6H3Cl2NO2

分子量: 192

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

InChIKey: NTBYINQTYWZXLH-UHFFFAOYSA-N

Smiles:C1(Cl)=CC=C([N+]([O-])=O)C=C1Cl

Mass

MS-NW-1663          
1,2-dichloro-4-nitrobenzene
C6H3Cl2NO2          (Mass of molecular ion:    191)

   Source Temperature: 250 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      18.0       2.5
      30.0      45.6
      35.0       1.0
      36.0       2.0
      37.0       8.9
      38.0       4.7
      39.0       1.3
      46.0       1.0
      47.0       1.5
      49.0       4.9
      50.0      14.9
      51.0       3.1
      54.5       1.0
      60.0       2.1
      61.0       5.6
      62.0       4.7
      63.0       6.0
      71.0       1.0
      72.0       3.5
      73.0      14.6
      74.0      52.2
      75.0      42.8
      76.0       3.1
      83.0       2.1
      84.0      15.1
      85.0      10.0
      86.0       5.5
      87.0       3.5
      88.0       1.0
      97.0       2.6
      98.0       1.3
     107.0       2.2
     108.0       3.4
     109.0      85.4
     110.0      19.0
     111.0      27.3
     112.0       6.0
     119.0       2.1
     121.0       1.3
     124.0       1.2
     126.0       1.4
     133.0      48.6
     134.0       2.8
     135.0      31.2
     136.0       1.8
     137.0       5.0
     144.0       1.5
     145.0     100.0
     146.0       7.4
     147.0      62.3
     148.0       4.4
     149.0      10.2
     161.0      36.0
     162.0       2.5
     163.0      22.9
     164.0       1.5
     165.0       3.8
     175.0       2.0
     177.0       1.3
     191.0      95.9
     192.0       6.9
     193.0      60.7
     194.0       4.3
     195.0      10.0

90 MHz in CDCl3

400 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₃ Cl₂ N O₂	0.05 ml : 0.5 ml CDCl₃
1,2-dichloro-4-nitrobenzene

    Assign.     Shift(ppm)

      A             8.341
      B             8.084
      C             7.654
     
     J(A,B)=2.5HZ
     J(B,C)=8.8HZ

     Hz     ppm     Int.

    748.38   8.357    779
    745.88   8.329    919
    730.44   8.156    471
    727.88   8.128    352
    721.63   8.058    678
    719.06   8.029    572
    688.88   7.692   1000
    680.13   7.595    655

¹H NMR	399.65 MHz
C₆ H₃ Cl₂ N O₂	0.042 g : 0.5 ml CDCl₃
1,2-dichloro-4-nitrobenzene

    Assign.     Shift(ppm)

      A             8.351
      B             8.095
      C             7.656

     Hz     ppm     Int.

   3338.75   8.355    922
   3336.18   8.348    965
   3241.33   8.111    528
   3238.65   8.104    496
   3232.42   8.089    571
   3229.86   8.082    557
   3068.12   7.678     22
   3064.09   7.667   1000
   3059.69   7.656     30
   3058.59   7.654     33
   3055.18   7.645    931

in CDCl3

CCl4 solution

KBr disc

liquid film

nujol mull

4880 A,100M,powder

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