89-69-0

1,2,4-Trichloro-5-nitrobenzene(89-69-0) IR3

Product Name1,2,4-Trichloro-5-nitrobenzene

CAS 89-69-0

Molecular FormulaC6H2Cl3NO2

Molecular Weight226.44

InChIInChI=1S/C6H2Cl3NO2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H

InChIKey IBRBMZRLVYKVRF-UHFFFAOYSA-N

SmilesC1(Cl)=CC([N+]([O-])=O)=C(Cl)C=C1Cl

Request For Quotation

1,2,4-Trichloro-5-nitrobenzene(89-69-0) IR3
Mass

MS-NW-1276          
1,2,4-trichloro-5-nitrobenzene
C6H2Cl3NO2          (Mass of molecular ion:    225)

   Source Temperature: 250 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      28.0       6.1
      30.0      95.8
      35.0       1.9
      36.0       4.8
      37.0      15.2
      38.0       4.0
      46.0       2.2
      47.0       3.8
      48.0       1.9
      49.0       6.3
      50.0       7.2
      51.0       1.0
      54.0       1.7
      60.0       4.2
      61.0       9.9
      62.0       6.9
      63.0       1.0
      71.0       2.8
      71.5       1.1
      72.0       8.7
      73.0      26.1
      74.0      60.5
      75.0       5.0
      83.0       6.0
      84.0      24.9
      85.0       5.4
      86.0       9.2
      87.0       2.8
      88.0       1.7
      94.0       2.0
      95.0       1.3
      96.0       3.0
      97.0      10.4
      98.0       2.4
      99.0       3.3
     107.0      11.5
     108.0      37.1
     109.0      49.9
     110.0      15.4
     111.0      15.3
     112.0       1.2
     118.0       3.8
     119.0       5.0
     120.0       2.8
     121.0       3.1
     131.0       1.4
     132.0       1.8
     133.0       1.2
     134.0       1.1
     143.0      70.1
     144.0      38.2
     145.0      46.0
     146.0      24.1
     147.0       8.4
     148.0       4.0
     158.0       1.3
     160.0       2.6
     162.0       1.5
     167.0      90.8
     168.0       5.2
     169.0      87.0
     170.0       4.9
     171.0      28.5
     172.0       1.6
     173.0       3.2
     178.0       1.5
     179.0      85.4
     180.0       7.0
     181.0      81.1
     182.0       6.0
     183.0      26.4
     184.0       1.8
     185.0       2.8
     195.0      39.9
     196.0       2.7
     197.0      37.8
     198.0       2.6
     199.0      12.4
     201.0       1.4
     209.0       3.3
     211.0       3.2
     213.0       1.2
     225.0     100.0
     226.0       7.4
     227.0      94.9
     228.0       6.8
     229.0      30.9
     230.0       2.2
     231.0       3.4

90 MHz in CDCl3

1,2,4-Trichloro-5-nitrobenzene(89-69-0) IR3

¹H NMR	89.56 MHz
C₆ H₂ Cl₃ N O₂	0.046 g : 0.5 ml CDCl₃
1,2,4-trichloro-5-nitrobenzene

    Assign.     Shift(ppm)

      A             8.05
      B             7.69

     Hz     ppm     Int.

    725.00   8.096     62
    724.38   8.089     74
    720.81   8.049    942
    715.50   7.990    149
    715.13   7.985    134
    714.56   7.979    112
    713.81   7.971     95
    713.31   7.965     79
    712.19   7.953     67
    710.50   7.934     55
    693.06   7.739     60
    692.44   7.732     58
    692.00   7.727     57
    688.50   7.688   1000
    683.69   7.634    201
    681.94   7.615     96
    680.94   7.604     89
    680.63   7.600     72
    680.13   7.595     60

in CDCl3