1635-61-6

2-硝基-5-氯苯胺(1635-61-6)核磁图(¹HNMR)

产品名称:2-硝基-5-氯苯胺

CAS:1635-61-6

分子式:C6H5ClN2O2

分子量: 172.57

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

InChIKey: ZCWXYZBQDNFULS-UHFFFAOYSA-N

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

Mass

MS-NW-7830          
5-chloro-2-nitroaniline
C6H5ClN2O2          (Mass of molecular ion:    172)

   Source Temperature: 170 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       1.1
      28.0       4.2
      30.0       2.8
      37.0       2.3
      38.0       4.6
      39.0       6.3
      40.0       1.2
      41.0       3.8
      44.5       1.0
      49.0       1.4
      50.0       2.7
      51.0       4.8
      52.0      13.0
      53.0       1.7
      61.0       3.6
      62.0       8.7
      63.0      28.0
      64.0       8.1
      65.0       5.5
      66.0       1.3
      73.0       7.2
      74.0       2.0
      75.0       3.3
      76.0       4.2
      77.0       1.1
      78.0       4.8
      79.0       1.0
      87.0       1.8
      88.0       1.4
      89.0       3.2
      90.0      27.6
      91.0      11.3
      92.0       1.0
      97.0       1.0
      98.0       2.1
      99.0      36.4
     100.0       3.3
     101.0      11.4
     102.0       1.0
     103.0       1.4
     112.0       1.2
     114.0      13.9
     115.0       1.1
     116.0       4.6
     124.0       2.0
     125.0       4.4
     126.0      38.0
     127.0       3.8
     128.0      12.1
     142.0      19.4
     143.0       1.5
     144.0       6.2
     155.0       3.7
     156.0       2.5
     157.0       1.4
     172.0     100.0
     173.0       7.8
     174.0      31.6
     175.0       2.4

parameter in CDCl3

¹H NMR	300 MHz
C₆ H₅ Cl N₂ O₂	0.035 g : 0.5 ml CDCl₃
5-chloro-2-nitroaniline

    Parameter     ppm  Hz

      D(A)         8.060
      D(B)         6.836
      D(C)         6.664
       J(A,B)          0.
       J(A,C)          9.1
       J(B,C)          2.1
     
      D(D)         6.16

     Hz     ppm     Int.

   2422.60   8.075    915
   2413.51   8.045    955
   2051.87   6.840    926
   2049.79   6.833   1000
   2004.72   6.682    514
   2002.65   6.675    474
   1995.63   6.652    490
   1993.55   6.645    456
   1848.00   6.160    137

in CDCl3