2,3,4,5-TETRACHLOROANILINE(634-83-3) IR1

Product Name2,3,4,5-TETRACHLOROANILINE

CAS 634-83-3

Molecular FormulaC6H3Cl4N

Molecular Weight230.91

InChIInChI=1S/C6H3Cl4N/c7-2-1-3(11)5(9)6(10)4(2)8/h1H,11H2

InChIKey GBKZRUCVLTWAML-UHFFFAOYSA-N

SmilesC1(N)=CC(Cl)=C(Cl)C(Cl)=C1Cl

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Mass

MS-NW-6812          
2,3,4,5-tetrachloroaniline
C6H3Cl4N            (Mass of molecular ion:    229)

   Source Temperature: 270 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      18.0       2.9
      28.0       1.2
      35.0       1.1
      36.0       2.0
      37.0       1.4
      44.0       1.2
      47.0       1.2
      49.0       1.0
      52.0       1.5
      60.0       1.8
      61.0       6.2
      61.5       3.3
      62.0       4.5
      62.5       1.2
      71.0       1.5
      72.0       1.8
      73.0       1.9
      75.0       1.6
      79.5       4.5
      80.5       2.7
      83.0       2.0
      84.0       1.1
      85.0       1.3
      86.0       2.5
      87.0       1.3
      88.0       2.3
      89.0       4.4
      95.0       1.5
      96.0       4.8
      96.5       2.6
      97.0       4.2
      97.5       2.4
      98.0       3.2
      98.5       1.0
      99.0       2.3
     107.0       2.9
     108.0       1.4
     109.0       1.9
     114.5       4.4
     115.5       5.9
     116.5       2.8
     122.0       3.6
     123.0       2.1
     124.0       5.2
     125.0       1.0
     126.0       1.4
     131.0       6.0
     132.0       1.1
     133.0       4.6
     135.0       1.2
     157.0       1.5
     158.0      14.9
     159.0       7.0
     160.0      10.5
     161.0       4.2
     162.0       2.0
     167.0      10.9
     168.0       1.3
     169.0      10.0
     171.0       3.6
     193.0       4.5
     194.0       6.7
     195.0       5.4
     196.0       6.6
     197.0       2.7
     198.0       2.2
     201.0       2.4
     203.0       3.0
     205.0       1.5
     229.0      78.4
     230.0       6.4
     231.0     100.0
     232.0       7.5
     233.0      47.7
     234.0       3.6
     235.0      10.6
     237.0       1.0

400 MHz in CDCl3

parameter in CDCl3

¹H NMR	399.65 MHz
C₆ H₃ Cl₄ N	0.040 g : 0.5 ml CDCl₃
2,3,4,5-tetrachloroaniline

    Assign.     Shift(ppm)

      A             6.804
      B             4.25

     Hz     ppm     Int.

   2719.48   6.805   1000
   1699.22   4.252    130

¹H NMR	300 MHz
C₆ H₃ Cl₄ N	0.048 g : 0.5 ml CDCl₃
2,3,4,5-tetrachloroaniline

    Parameter     ppm  Hz

      D(A)         6.803
     
      D(B)         4.20

     Hz     ppm     Int.

   2040.89   6.803   1000
   1259.99   4.200     90

in CDCl3

KBr disc

nujol mull

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