6283-25-6

2-氯-5-硝基苯胺(6283-25-6)质谱(MS)

产品名称:2-氯-5-硝基苯胺

CAS:6283-25-6

分子式:C6H5ClN2O2

分子量: 172.57

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

InChIKey: KWIXNFOTNVKIGM-UHFFFAOYSA-N

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

Mass

MS-NW-1374          
2-chloro-5-nitroaniline
C6H5ClN2O2          (Mass of molecular ion:    172)

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

      18.0       1.8
      27.0       1.2
      28.0       4.0
      30.0       3.5
      37.0       4.1
      38.0       7.0
      39.0      11.1
      40.0       2.2
      41.0       5.5
      42.0       1.0
      44.0       1.1
      44.5       1.5
      49.0       1.8
      50.0       2.7
      51.0       5.4
      52.0      17.7
      53.0       2.3
      54.0       1.1
      61.0       5.3
      62.0      10.5
      63.0      36.7
      64.0      10.1
      65.0       7.4
      66.0       5.8
      73.0      10.1
      74.0       2.8
      75.0       4.8
      76.0       1.5
      78.0       4.3
      79.0       1.7
      86.0       1.2
      87.0       2.3
      88.0       1.7
      89.0       3.5
      90.0     100.0
      91.0      15.3
      97.0       1.1
      98.0       1.0
      99.0      31.2
     100.0       3.3
     101.0      10.0
     102.0       1.1
     106.0       2.3
     114.0      20.6
     115.0       1.5
     116.0       6.7
     125.0       3.5
     126.0      67.6
     127.0       6.1
     128.0      22.1
     129.0       1.6
     142.0       7.2
     144.0       2.8
     156.0       1.0
     172.0      96.5
     173.0       7.4
     174.0      31.6
     175.0       2.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₅ Cl N₂ O₂	0.05 g : 0.5 ml CDCl₃
2-chloro-5-nitroaniline

    Assign.     Shift(ppm)

      A             7.61
      B             7.52
      C             7.38
      D             4.3

     Hz     ppm     Int.

    685.44   7.654     48
    683.56   7.633    332
    682.81   7.625    463
    681.13   7.606    888
    680.38   7.597    964
    677.81   7.569     84
    677.50   7.565     89
    676.19   7.551     43
    674.13   7.528     45
    671.50   7.498    954
    669.13   7.472    711
    666.88   7.447     71
    666.44   7.442     74
    666.00   7.437     60
    665.44   7.431     58
    663.38   7.408   1000
    662.63   7.399    845
    654.94   7.313    294
    654.25   7.306    287
    384.38   4.292    114

in CDCl3