18708-70-8

2,4,6-三氯硝基苯(18708-70-8)Raman光谱

产品名称:2,4,6-三氯硝基苯

CAS:18708-70-8

分子式:C6H2Cl3NO2

分子量: 226.44

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

InChIKey: AEBJDOTVYMITIA-UHFFFAOYSA-N

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

Mass

MS-NW-1416          
1,3,5-trichloro-2-nitrobenzene
C6H2Cl3NO2          (Mass of molecular ion:    225)

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

      18.0       1.4
      28.0       4.7
      30.0      77.9
      35.0       2.4
      36.0       5.5
      37.0      14.4
      38.0       4.7
      46.0       3.4
      47.0       4.1
      48.0       2.0
      49.0       6.6
      50.0       4.5
      51.0       1.1
      54.0       2.0
      60.0       4.6
      61.0       9.7
      62.0       7.2
      63.0       1.4
      71.0       3.5
      71.5       1.0
      72.0       7.6
      73.0      26.5
      74.0      60.6
      75.0       5.5
      83.0       7.9
      84.0      28.9
      85.0       6.8
      86.0      10.4
      87.0       3.1
      88.0       1.8
      95.0       1.5
      96.0       2.9
      97.0      12.8
      98.0       2.9
      99.0       3.9
     106.0       1.4
     107.0      14.4
     108.0      34.7
     109.0      51.0
     110.0      14.7
     111.0      15.7
     112.0       1.2
     118.0       3.6
     119.0       5.0
     120.0       2.6
     121.0       3.3
     122.0       1.0
     131.0       1.6
     132.0       2.9
     133.0       1.2
     134.0       1.9
     143.0      60.8
     144.0      32.8
     145.0      40.9
     146.0      21.2
     147.0       7.5
     148.0       3.5
     158.0       1.5
     160.0       3.9
     162.0       2.3
     167.0      74.8
     168.0       4.3
     169.0      72.9
     170.0       4.1
     171.0      23.8
     172.0       1.2
     173.0       2.7
     179.0      53.2
     180.0       4.1
     181.0      51.3
     182.0       3.8
     183.0      16.1
     184.0       1.2
     185.0       1.8
     195.0     100.0
     196.0       6.8
     197.0      96.7
     198.0       6.3
     199.0      31.5
     200.0       2.2
     201.0       3.5
     209.0       5.2
     211.0       5.1
     213.0       1.7
     225.0      91.6
     226.0       6.5
     227.0      88.6
     228.0       6.3
     229.0      28.4
     230.0       2.0
     231.0       3.2

parameter in CDCl3

¹H NMR	300 MHz
C₆ H₂ Cl₃ N O₂	0.047 g : 0.5 ml CDCl₃
1,3,5-trichloro-2-nitrobenzene

    Parameter     ppm  Hz

      D(A)         7.464

     Hz     ppm     Int.

   2239.20   7.464   1000

in CDCl3

CCl4 solution

KBr disc

nujol mull

4880 A,200 M,powder