5-氯-m-苯二胺(33786-89-9)紅外圖譜(IR2)

產(chǎn)品名稱:5-氯-m-苯二胺

CAS:33786-89-9

分子式:C6H7ClN2

分子量: 142.59

InChI:InChI=1S/C6H7ClN2/c7-4-1-5(8)3-6(9)2-4/h1-3H,8-9H2

InChIKey: VZNUCJOYPXKLTA-UHFFFAOYSA-N

Smiles:C1(N)=CC(Cl)=CC(N)=C1

Mass

MS-NW-4691          
5-chloro-m-phenylenediamine
C6H7ClN2            (Mass of molecular ion:    142)

   Source Temperature: 260 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      18.0       1.8
      27.0       1.1
      28.0       3.1
      37.0       1.6
      38.0       3.3
      39.0       4.3
      40.0       2.6
      41.0       3.3
      42.0       3.7
      43.0       1.2
      50.0       2.6
      51.0       6.1
      52.0       7.2
      53.0       8.7
      54.0       2.1
      61.0       1.1
      62.0       2.2
      63.0       4.3
      64.0       1.3
      65.0       2.8
      66.0       4.0
      67.0       3.1
      71.0       4.8
      72.0       1.9
      73.0       1.3
      75.0       1.0
      76.0       1.6
      77.0       1.9
      78.0      12.3
      79.0       5.0
      80.0      34.4
      81.0       2.4
      87.0       1.7
      89.0       1.3
      90.0       3.3
     105.0       3.3
     106.0       3.1
     107.0      12.0
     108.0       1.0
     114.0      14.9
     115.0       6.5
     116.0       5.5
     117.0       2.1
     125.0       3.2
     127.0       1.2
     141.0       4.1
     142.0     100.0
     143.0       8.6
     144.0      31.7
     145.0       2.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₇ Cl N₂	0.042 g : 0.5 ml CDCl₃
5-chloro-m-phenylenediamine

    Assign.     Shift(ppm)

      A             6.083
      B             5.839
      C             3.56
     
     J(A,B)=2.0HZ.

     Hz     ppm     Int.

    546.00   6.097    792
    544.06   6.075   1000
    525.00   5.862    207
    522.94   5.839    329
    521.00   5.818    173
    318.38   3.555    335

in CDCl3