2-CHLOROETHYLPHOSPHORIC ACID DICHLORIDE(1455-05-6) MS
Product Name2-CHLOROETHYLPHOSPHORIC ACID DICHLORIDE
CAS1455-05-6
Molecular FormulaC2H4Cl3O2P
Molecular Weight197.38
InChIInChI=1S/C2H4Cl3O2P/c3-1-2-7-8(4,5)6/h1-2H2
InChIKey YRTAUZXAHQPFJV-UHFFFAOYSA-N
SmilesP(Cl)(Cl)(OCCCl)=O
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MassMS-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
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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
liquid film
