1455-05-6

2-氯乙基二氯磷酸(1455-05-6)核磁图(¹³CNMR)

产品名称:2-氯乙基二氯磷酸

CAS:1455-05-6

分子式:C2H4Cl3O2P

分子量: 197.38

InChI:InChI=1S/C2H4Cl3O2P/c3-1-2-7-8(4,5)6/h1-2H2

InChIKey: YRTAUZXAHQPFJV-UHFFFAOYSA-N

Smiles:P(Cl)(Cl)(OCCCl)=O

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-5125          
2-chloroethyl dichlorophosphate
C2H4Cl3O2P          (Mass of molecular ion:    196)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      14.0       1.1
      15.0       2.3
      26.0       6.0
      27.0      38.0
      28.0       4.4
      29.0       4.4
      35.0       1.7
      36.0       3.2
      38.0       1.0
      42.0       3.4
      43.0       1.5
      47.0      15.4
      48.0       1.7
      49.0       9.3
      51.0       3.1
      61.0       2.5
      62.0     100.0
      63.0      34.7
      64.0      32.1
      65.0      11.0
      66.0       1.2
      77.0       1.5
      82.0       1.8
      83.0       2.1
      93.0       1.1
      98.0       1.5
      99.0       6.3
     101.0       2.8
     117.0      34.0
     119.0      22.1
     121.0       4.3
     135.0      19.5
     137.0      13.0
     139.0       2.2
     147.0      43.5
     149.0      28.4
     151.0       4.9
     152.0       3.1
     154.0       3.1
     156.0       1.0
     161.0       3.3
     163.0       2.4

parameter in CDCl3

¹H NMR	300 MHz
C₂ H₄ Cl₃ O₂ P	0.04 ml : 0.5 ml CDCl₃
2-chloroethyl dichlorophosphate

    Parameter     ppm  Hz

      D(A)         4.549
      D(B)         3.792
       J(A,B)          5.6
       J(A,P-31)      10.1
       J(B,P-31)       1.3

     Hz     ppm     Int.

   1375.42   4.585    442
   1369.82   4.566    922
   1365.24   4.551    543
   1364.24   4.547    549
   1359.68   4.532    906
   1354.13   4.514    487
   1143.78   3.813    525
   1142.48   3.808    518
   1138.17   3.794   1000
   1136.97   3.790    916
   1132.58   3.775    487
   1131.39   3.771    452

in CDCl3