26196-45-2

2-氯-5-硝基-1,4-苯二胺(26196-45-2)质谱(MS)

产品名称:2-氯-5-硝基-1,4-苯二胺

CAS:26196-45-2

分子式:C6H6ClN3O2

分子量: 187.58

InChI:InChI=1S/C6H6ClN3O2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H,8-9H2

InChIKey: VUNAQOGRLGNALG-UHFFFAOYSA-N

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

Mass

MS-IW-9557          
2-chloro-5-nitro-p-phenylenediamine
C6H6ClN3O2          (Mass of molecular ion:    187)

   Source Temperature: 170 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      18.0       2.8
      27.0       1.7
      28.0      11.0
      30.0       1.9
      36.0       1.6
      37.0       1.0
      38.0       2.0
      39.0       2.4
      40.0       2.2
      41.0       1.6
      42.0       1.8
      43.0       1.1
      50.0       2.7
      51.0       9.9
      52.0      23.5
      52.5       2.2
      53.0      13.2
      54.0       4.7
      55.0       1.6
      61.0       1.6
      62.0       2.8
      63.0       2.1
      64.0       1.9
      65.0       2.1
      66.0       2.2
      67.0       1.8
      70.0       5.3
      70.5       7.0
      71.0       2.2
      71.5       2.3
      73.0       1.1
      75.0       1.9
      76.0       5.1
      77.0       3.5
      78.0      27.9
      79.0       8.7
      80.0       1.2
      86.0       1.4
      87.0       5.7
      88.0       2.8
      89.0       2.9
      90.0       1.5
      93.0       2.0
      93.5       2.5
      94.0       1.4
      97.0       1.5
     105.0      18.5
     106.0      14.1
     107.0       1.4
     112.0       2.0
     113.0       7.9
     114.0      35.0
     115.0       5.2
     116.0      11.2
     117.0       1.0
     118.0       2.8
     124.0       2.5
     126.0       1.8
     128.0       1.0
     129.0       6.6
     131.0       2.2
     139.0       3.5
     140.0       8.2
     141.0      99.0
     142.0      10.3
     143.0      31.6
     144.0       2.4
     153.0       7.9
     155.0       2.9
     157.0       1.3
     158.0       1.5
     170.0       4.7
     171.0       1.4
     172.0       1.9
     186.0       1.5
     187.0     100.0
     188.0       8.7
     189.0      32.4
     190.0       2.7

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₆ H₆ Cl N₃ O₂	0.026 g : 0.5 ml DMSO-d₆
2-chloro-5-nitro-p-phenylenediamine

    Assign.     Shift(ppm)

      A             7.448
      B             7.067
      C     *1      6.89
      D     *1      5.03

     Hz     ppm     Int.

   2985.96   7.472     21
   2977.05   7.450    981
   2824.46   7.068   1000
   2820.92   7.059     22
   2820.43   7.058     21
   2751.71   6.886    552
   2741.94   6.861     33
   2741.46   6.860     31
   2741.09   6.859     31
   2023.19   5.063     35
   2009.89   5.030    510

in DMSO-d6