89-63-4

4-氯-2-硝基苯胺(89-63-4)Raman光谱

产品名称:4-氯-2-硝基苯胺

CAS:89-63-4

分子式:C6H5ClN2O2

分子量: 172.57

InChI:InChI=1S/C6H5ClN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2

InChIKey: PBGKNXWGYQPUJK-UHFFFAOYSA-N

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

Mass

MS-NW-1695          
4-chloro-2-nitroaniline
C6H5ClN2O2          (Mass of molecular ion:    172)

   Source Temperature: 240 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      14.0       1.2
      17.0       1.6
      18.0       7.2
      26.0       1.7
      27.0       2.0
      28.0       4.0
      30.0       6.5
      36.0       1.3
      37.0       7.5
      38.0      10.4
      39.0      12.1
      40.0       3.3
      41.0       8.3
      42.0       1.0
      44.0       3.6
      44.5       2.8
      45.5       1.8
      47.0       1.1
      49.0       3.9
      50.0       7.2
      51.0      10.3
      52.0      24.1
      53.0       3.7
      54.0       1.8
      60.0       1.6
      61.0       9.0
      62.0      17.5
      63.0      55.3
      64.0      16.2
      65.0      10.4
      66.0       2.9
      72.0       2.9
      73.0      15.9
      74.0       4.2
      75.0       7.0
      76.0       6.9
      77.0       2.3
      78.0       9.5
      79.0       1.9
      85.0       1.0
      86.0       2.3
      87.0       3.7
      88.0       2.6
      89.0       5.4
      90.0      48.6
      91.0      21.1
      92.0       2.1
      97.0       2.1
      98.0       4.5
      99.0      57.4
     100.0       6.4
     101.0      18.8
     102.0       1.7
     103.0       2.8
     105.0       1.3
     111.0       1.0
     112.0       1.1
     113.0       1.0
     114.0      17.0
     115.0       1.3
     116.0       5.5
     124.0       2.6
     125.0       5.6
     126.0      83.1
     127.0       7.2
     128.0      26.4
     129.0       1.8
     142.0       9.4
     144.0       3.0
     155.0       2.8
     156.0       2.0
     157.0       1.2
     172.0     100.0
     173.0       7.9
     174.0      33.3
     175.0       2.5

90 MHz in DMSO-d6

¹H NMR	89.56 MHz
C₆ H₅ Cl N₂ O₂	0.041 g : 0.5 ml DMSO-d₆
4-chloro-2-nitroaniline

    Assign.     Shift(ppm)

      A             7.946
      B             7.55
      C             7.434
      D             7.081

     Hz     ppm     Int.

    712.69   7.958    749
    710.25   7.931    807
    707.00   7.895     45
    693.56   7.745     36
    692.81   7.736     38
    692.31   7.731     36
    691.69   7.724     38
    690.56   7.711     45
    689.88   7.703     45
    689.25   7.696     52
    687.88   7.681     53
    687.25   7.674     57
    686.31   7.664     66
    685.88   7.659     67
    685.44   7.654     67
    684.88   7.648     77
    683.56   7.633     90
    683.25   7.629     95
    682.81   7.625     98
    681.69   7.612    130
    675.88   7.547    488
    675.31   7.541    487
    671.81   7.502    579
    669.31   7.474    408
    668.06   7.460    134
    666.31   7.440     89
    664.69   7.422    129
    662.69   7.400    617
    660.19   7.372    564
    657.75   7.345     63
    657.06   7.337     57
    655.63   7.321     44
    654.69   7.311     37
    654.25   7.306     41
    637.31   7.117   1000
    634.50   7.085     44
    634.00   7.080     38
    628.19   7.015    589
    626.13   6.992     36

in DMSO-d6