121-87-9

2-氯-4-硝基苯胺(121-87-9)Raman光谱

产品名称:2-氯-4-硝基苯胺

CAS:121-87-9

分子式:C6H5ClN2O2

分子量: 172.57

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

InChIKey: LOCWBQIWHWIRGN-UHFFFAOYSA-N

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

Mass

MS-NW-3782          
2-chloro-4-nitroaniline
C6H5ClN2O2          (Mass of molecular ion:    172)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      18.0       1.3
      26.0       1.1
      27.0       1.4
      28.0       3.3
      30.0       8.2
      36.0       1.2
      37.0       4.0
      38.0       5.5
      39.0      10.2
      40.0       1.9
      41.0       7.5
      42.0       1.3
      44.0       1.0
      44.5       1.5
      49.0       1.8
      50.0       3.0
      51.0       6.4
      52.0      17.8
      53.0       2.5
      54.0       1.4
      61.0       5.1
      62.0      10.1
      63.0      35.3
      64.0       9.6
      65.0       7.1
      66.0       1.9
      72.0       1.4
      73.0       9.3
      74.0       2.6
      75.0       4.6
      76.0       1.3
      77.0       1.6
      78.0       4.5
      79.0       2.1
      80.0       2.3
      86.0       1.0
      87.0       2.6
      88.0       1.9
      89.0       4.0
      90.0      90.1
      91.0      15.9
      92.0       1.2
      97.0       1.7
      98.0       1.9
      99.0      29.0
     100.0       3.4
     101.0       9.0
     102.0       1.1
     105.0       1.8
     106.0       2.9
     107.0       4.8
     114.0      12.5
     115.0       1.0
     116.0       4.3
     122.0       1.7
     125.0       2.9
     126.0      36.8
     127.0       3.6
     128.0      11.9
     129.0       1.0
     142.0      58.3
     143.0       4.6
     144.0      19.6
     145.0       1.6
     156.0       3.8
     158.0       1.4
     172.0     100.0
     173.0       7.8
     174.0      33.1
     175.0       2.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₅ Cl N₂ O₂	0.049 g : 0.5 ml CDCl₃
2-chloro-4-nitroaniline

    Assign.     Shift(ppm)

      A             8.19
      B             7.99
      C             6.76
      D             4.84

     Hz     ppm     Int.

    735.25   8.210    809
    734.75   8.205    826
    733.19   8.187   1000
    720.94   8.050    491
    719.75   8.037    435
    719.38   8.033    427
    719.00   8.029    425
    718.81   8.027    425
    712.13   7.952    552
    710.31   7.932    486
    709.94   7.927    485
    609.81   6.809    789
    604.38   6.749    136
    600.94   6.710    680
    432.75   4.832    423

in CDCl3