Tris(1,3-dichloro-2-propyl)phosphate(13674-87-8) MS
Product NameTris(1,3-dichloro-2-propyl)phosphate
CAS13674-87-8
Molecular FormulaC9H15Cl6O4P
Molecular Weight430.9
InChIInChI=1S/C9H15Cl6O4P/c10-1-7(2-11)17-20(16,18-8(3-12)4-13)19-9(5-14)6-15/h7-9H,1-6H2
InChIKey ASLWPAWFJZFCKF-UHFFFAOYSA-N
SmilesO=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl
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MassMS-NW-1628 tris(2-chloro-1-(chloromethyl)ethyl) phosphate C9H15Cl6O4P (Mass of molecular ion: 428)
Source Temperature: 210 °C Sample Temperature: 140 °C Direct, 75 eV
15.0 2.9 27.0 7.6 28.0 1.2 29.0 2.6 31.0 3.9 36.0 3.3 38.0 1.3 39.0 25.2 40.0 3.2 41.0 21.1 42.0 1.7 43.0 6.7 44.0 1.5 47.0 2.2 49.0 28.4 50.0 1.1 51.0 8.9 55.0 1.0 57.0 12.5 61.0 2.0 62.0 1.9 63.0 1.4 65.0 1.7 73.0 1.3 74.0 1.0 75.0 100.0 76.0 5.9 77.0 32.0 78.0 2.3 79.0 4.6 81.0 6.7 83.0 3.0 85.0 1.6 91.0 1.5 93.0 1.9 99.0 77.0 109.0 1.3 110.0 2.9 111.0 12.4 112.0 2.2 113.0 7.7 115.0 1.3 117.0 4.2 119.0 1.7 123.0 2.0 125.0 1.2 135.0 1.4 137.0 5.8 141.0 1.0 155.0 20.1 157.0 6.6 159.0 10.5 161.0 3.4 173.0 4.8 175.0 1.8 191.0 54.7 192.0 2.0 193.0 35.3 194.0 1.3 195.0 6.0 209.0 37.0 210.0 1.4 211.0 24.6 213.0 4.1 233.0 1.3 269.0 3.4 271.0 3.4 273.0 1.1 301.0 6.5 303.0 8.1 305.0 3.6 319.0 12.3 321.0 16.1 322.0 1.2 323.0 8.3 325.0 1.8 379.0 9.3 381.0 15.7 382.0 1.4 383.0 10.3 385.0 2.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H15 Cl6 O4 P 0.031 g : 0.5 ml CDCl3 tris(2-chloro-1-(chloromethyl)ethyl) phosphate 
Assign. Shift(ppm)
A 4.810 B 3.858 J(A,P-31)=8.1HZ
Hz ppm Int.440.31 4.917 70 437.25 4.883 38 435.25 4.860 120 432.19 4.826 83 430.19 4.804 95 427.13 4.770 115 425.31 4.749 43 422.06 4.713 84 417.13 4.658 27 348.00 3.886 1000 342.88 3.829 864
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
