5402-73-3

2，5-二氯苄磺酸氯(5402-73-3)Raman光谱

产品名称:2，5-二氯苄磺酸氯

CAS:5402-73-3

分子式:C6H3Cl3O2S

分子量: 245.51

InChI:InChI=1S/C6H3Cl3O2S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H

InChIKey: BXCOSWRSIISQSL-UHFFFAOYSA-N

Smiles:C1(S(Cl)(=O)=O)=CC(Cl)=CC=C1Cl

Mass

MS-IW-5084          
2,5-dichlorobenzenesulfonyl chloride
C6H3Cl3O2S          (Mass of molecular ion:    244)

   Source Temperature: 110 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      36.0       1.2
      37.0       2.6
      38.0       1.7
      45.0       1.0
      48.0       2.3
      49.0       1.9
      50.0       7.6
      51.0       1.2
      54.5       2.8
      55.0       2.3
      55.5       1.0
      61.0       2.5
      62.0       2.2
      63.0       2.7
      64.0       2.4
      69.0       2.4
      72.0       1.9
      72.5       1.1
      73.0       7.1
      74.0      26.1
      75.0      20.3
      76.0       1.3
      79.0       1.2
      83.0       1.0
      84.0       7.5
      85.0       5.2
      86.0       2.6
      87.0       1.6
      90.0       1.2
      91.0       1.3
      95.0       1.1
      97.0       1.0
     104.5       3.3
     105.5       2.2
     107.0       1.1
     108.0       1.9
     109.0      42.2
     110.0       9.3
     111.0      14.4
     112.0       2.9
     119.0       1.0
     133.0       3.2
     135.0       2.0
     142.0       1.1
     144.0       1.1
     145.0     100.0
     146.0       8.0
     147.0      65.0
     148.0       4.9
     149.0      10.3
     161.0       3.6
     163.0       2.3
     165.0       1.5
     180.0       6.3
     182.0       5.9
     184.0       1.9
     193.0       1.2
     209.0      86.4
     210.0       6.5
     211.0      59.3
     212.0       4.1
     213.0      11.2
     244.0      26.0
     245.0       2.1
     246.0      26.2
     247.0       2.0
     248.0       9.1
     250.0       1.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₃ Cl₃ O₂ S	0.039 g : 0.5 ml CDCl₃
2,5-dichlorobenzenesulfonyl chloride

    Assign.     Shift(ppm)

      A             8.130
      B             7.63
      C             7.59
     
     CALCULATED BY LAOCN PROGRUM.

     Hz     ppm     Int.

    729.75   8.149    331
    728.75   8.138    319
    727.94   8.128    436
    726.94   8.117    407
    691.25   7.719     56
    682.69   7.623    651
    681.63   7.611    673
    680.63   7.600   1000
    673.06   7.516     40

in CDCl3