95-76-1

3,4-Dichloroaniline(95-76-1) IR2

Product Name3,4-Dichloroaniline

CAS 95-76-1

Molecular FormulaC6H5Cl2N

Molecular Weight162.02

InChIInChI=1S/C6H5Cl2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2

InChIKey SDYWXFYBZPNOFX-UHFFFAOYSA-N

SmilesC1(N)=CC=C(Cl)C(Cl)=C1

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3,4-Dichloroaniline(95-76-1) IR2
Mass

MS-NW-1634          
3,4-dichloroaniline
C6H5Cl2N            (Mass of molecular ion:    161)

   Source Temperature: 240 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      28.0       2.9
      37.0       2.4
      38.0       2.2
      39.0       2.6
      41.0       3.9
      44.5       4.0
      45.5       1.3
      49.0       1.1
      50.0       1.7
      52.0       3.1
      61.0       3.4
      62.0       5.5
      62.5       4.9
      63.0      11.9
      63.5       1.6
      64.0       3.0
      65.0       2.5
      72.0       1.7
      73.0       5.0
      74.0       1.7
      75.0       1.9
      80.5       4.8
      81.5       2.9
      88.0       1.0
      89.0       2.3
      90.0      16.2
      91.0       4.8
      97.0       1.6
      98.0       1.9
      99.0      16.5
     100.0       1.8
     101.0       5.8
     124.0       1.1
     125.0       6.5
     126.0      11.3
     127.0       2.9
     128.0       3.6
     133.0       3.4
     134.0       4.1
     135.0       2.6
     136.0       2.6
     160.0       1.3
     161.0     100.0
     162.0       7.8
     163.0      63.5
     164.0       4.6
     165.0      10.3

90 MHz in CDCl3

3,4-Dichloroaniline(95-76-1) IR2

¹H NMR	89.56 MHz
C₆ H₅ Cl₂ N	0.041 g : 0.5 ml CDCl₃
3,4-dichloroaniline

    Assign.     Shift(ppm)

      A             7.148
      B             6.735
      C             6.482
      D             3.70
     
     J(A,C)=8.6HZ
     J(B,C)=2.7HZ

     Hz     ppm     Int.

    645.19   7.204    719
    636.63   7.109    949
    604.75   6.753    758
    602.13   6.724   1000
    585.63   6.539    597
    582.94   6.509    497
    577.06   6.444    453
    574.38   6.414    392
    330.94   3.696    240

in CDCl3