PHENYLTHIOPHOSPHONIC DICHLORIDE(3497-00-5) ¹³C NMR

Product NamePHENYLTHIOPHOSPHONIC DICHLORIDE

CAS 3497-00-5

Molecular FormulaC6H5Cl2PS

Molecular Weight211.05

InChIInChI=1S/C6H5Cl2PS/c7-9(8,10)6-4-2-1-3-5-6/h1-5H

InChIKey SXIWNIQDOJKDGB-UHFFFAOYSA-N

SmilesC1=CC=C(P(=S)(Cl)Cl)C=C1

Request For Quotation

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-8107          
phenylphosphonothioic dichloride
C6H5Cl2PS           (Mass of molecular ion:    210)

   Source Temperature: 200 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       1.5
      38.0       1.0
      39.0       2.8
      50.0       8.6
      51.0      26.7
      52.0       1.5
      56.0       1.9
      57.0       1.6
      63.0      15.8
      65.0       4.8
      68.0       1.3
      69.0       2.8
      74.0       3.1
      75.0       3.0
      76.0       2.1
      77.0      33.9
      78.0       2.4
      80.0       2.5
      81.0       3.1
      82.0       1.1
      91.0       1.2
     101.0       2.6
     103.0       1.8
     107.0      10.1
     108.0       2.9
     109.0      94.7
     110.0       7.2
     111.0       4.8
     112.0       2.0
     139.0      28.1
     140.0       2.5
     141.0       2.1
     143.0      16.5
     144.0       1.2
     145.0       5.4
     174.0       1.0
     175.0      85.2
     176.0       6.7
     177.0      31.6
     178.0       3.7
     179.0       1.5
     180.0       1.0
     210.0     100.0
     211.0       7.6
     212.0      68.6
     213.0       5.1
     214.0      13.1
     215.0       1.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₅ Cl₂ P S	0.05 ml : 0.5 ml CDCl₃
phenylphosphonothioic dichloride

    Assign.     Shift(ppm)

      A             8.113
      B             7.623
      C             7.549

     Hz     ppm     Int.

   3258.54   8.154     85
   3256.47   8.149    531
   3255.74   8.147    525
   3255.13   8.145    627
   3254.52   8.144    309
   3253.78   8.142    341
   3250.24   8.133    206
   3248.17   8.128    839
   3246.70   8.124    648
   3239.26   8.106     92
   3237.30   8.101    547
   3236.08   8.098    638
   3235.35   8.096    323
   3234.62   8.094    345
   3232.30   8.088     58
   3230.96   8.085    213
   3229.00   8.080    826
   3227.54   8.076    681
   3058.59   7.654     79
   3057.37   7.651    151
   3056.03   7.647    122
   3054.32   7.643    172
   3053.10   7.640    115
   3052.37   7.638    123
   3050.05   7.632    402
   3047.24   7.625    411
   3044.80   7.619    174
   3043.82   7.617    246
   3042.48   7.613    403
   3041.14   7.610    319
   3039.55   7.606    393
   3038.21   7.603    213
   3028.81   7.579    115
   3026.73   7.574    551
   3025.39   7.571    279
   3022.71   7.564    151
   3020.63   7.559    895
   3019.04   7.555   1000
   3014.28   7.543    477
   3012.94   7.539    864
   3012.33   7.538    645
   3010.86   7.534    380
   3007.32   7.525    170
   3005.62   7.521    348
   3004.64   7.519    255

in CDCl3