3172-52-9

2,5-Dichlorothiophene(3172-52-9) MS

Product Name2,5-Dichlorothiophene

CAS 3172-52-9

Molecular FormulaC4H2Cl2S

Molecular Weight153.03

InChIInChI=1S/C4H2Cl2S/c5-3-1-2-4(6)7-3/h1-2H

InChIKey FGYBDASKYMSNCX-UHFFFAOYSA-N

SmilesC1(Cl)SC(Cl)=CC=1

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2,5-Dichlorothiophene(3172-52-9) MS
Mass

MS-NW-1143          
2,5-dichlorothiophene
C4H2Cl2S            (Mass of molecular ion:    152)

   Source Temperature: 240 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      18.0       1.0
      35.0       1.0
      36.0       1.3
      37.0       6.7
      38.0       4.9
      41.0       1.4
      44.0       3.1
      45.0      10.1
      47.0       3.0
      49.0       1.9
      50.0       1.3
      56.0       1.5
      57.0       9.8
      58.0       3.7
      59.0       1.6
      60.0       1.4
      68.0       1.3
      69.0      10.3
      71.0       1.2
      72.0       2.5
      73.0      36.6
      74.0       1.8
      75.0      11.4
      76.0       3.6
      77.0       2.2
      79.0      16.6
      80.0       1.5
      81.0       9.8
      82.0       6.7
      83.0       1.1
      84.0       1.3
      91.0       1.2
      92.0      10.0
      94.0       3.6
     107.0       2.3
     109.0       1.4
     116.0       2.9
     117.0      26.5
     118.0       2.8
     119.0       9.9
     152.0     100.0
     153.0       5.8
     154.0      67.5
     155.0       3.6
     156.0      12.8
     186.0       1.1

parameter in CDCl3

parameter in TMS

2,5-Dichlorothiophene(3172-52-9) MS

¹H NMR	300 MHz
C₄ H₂ Cl₂ S	0.02 ml : 0.5 ml CDCl₃
2,5-dichlorothiophene

    Parameter     ppm  Hz

      D(A)         6.689

     Hz     ppm     Int.

   2006.70   6.689   1000

2,5-Dichlorothiophene(3172-52-9) MS

¹H NMR	300 MHz
C₄ H₂ Cl₂ S	in TMS
2,5-dichlorothiophene

    Parameter     ppm  Hz

      D(A)         6.572
     
     READ,J.M. ET AL. SPECTROCHIM.ACTA 21, 85 (1965)
     J(A,C-13):173.95HZ. J(A,A):3.92HZ.