Bis(2,2,2-trichloroethyl) phosphorochloridate(17672-53-6) IR2
Product NameBis(2,2,2-trichloroethyl) phosphorochloridate
CAS17672-53-6
Molecular FormulaC4H4Cl7O3P
Molecular Weight379.22
InChIInChI=1S/C4H4Cl7O3P/c5-3(6,7)1-13-15(11,12)14-2-4(8,9)10/h1-2H2
InChIKey ZHHCWQGVXYGWCW-UHFFFAOYSA-N
SmilesP(Cl)(OCC(Cl)(Cl)Cl)(OCC(Cl)(Cl)Cl)=O
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MassMS-NW-7911 bis(2,2,2-trichloroethyl) phosphorochloridate C4H4Cl7O3P (Mass of molecular ion: 376)
Source Temperature: 200 °C Sample Temperature: 180 °C Direct, 75 eV
17.0 1.0 18.0 4.2 26.0 8.9 28.0 2.8 29.0 7.1 30.0 1.5 31.0 21.5 35.0 4.2 36.0 26.9 37.0 1.1 38.0 8.9 42.0 3.6 43.0 1.9 47.0 10.0 48.0 5.7 49.0 24.3 50.0 1.8 51.0 7.9 58.0 1.0 60.0 7.5 61.0 34.3 62.0 3.3 63.0 12.8 64.0 1.5 65.0 5.0 76.0 2.2 77.0 32.2 78.0 2.7 79.0 18.1 80.0 1.2 81.0 27.6 82.0 5.0 83.0 15.9 84.0 3.5 85.0 7.5 87.0 1.0 89.0 21.0 91.0 7.0 93.0 3.2 95.0 35.5 96.0 41.3 97.0 24.8 98.0 26.9 99.0 21.5 100.0 4.5 101.0 4.6 111.0 9.1 112.0 5.8 113.0 15.8 114.0 4.2 115.0 10.1 117.0 37.7 119.0 18.2 121.0 4.2 122.0 1.8 123.0 3.5 125.0 5.6 127.0 3.7 129.0 8.1 130.0 8.4 131.0 29.7 132.0 8.6 133.0 26.5 134.0 3.1 135.0 11.4 137.0 2.8 141.0 47.2 142.0 1.2 143.0 17.6 145.0 2.5 147.0 4.7 149.0 3.0 151.0 1.1 157.0 22.0 159.0 7.9 161.0 4.6 169.0 17.6 171.0 6.5 175.0 7.8 177.0 22.9 179.0 13.0 181.0 2.3 191.0 5.5 193.0 96.7 194.0 2.7 195.0 62.7 196.0 1.6 197.0 10.6 205.0 26.2 206.0 1.0 207.0 16.9 209.0 3.0 211.0 11.9 213.0 11.2 215.0 3.5 229.0 1.3 231.0 1.0 241.0 100.0 242.0 3.7 243.0 98.0 244.0 3.5 245.0 31.1 246.0 1.2 247.0 3.8 273.0 1.2 289.0 1.0 291.0 1.2 321.0 1.6 323.0 4.5 325.0 4.6 327.0 2.7 361.0 1.5 363.0 1.3 373.0 1.2 375.0 1.0
parameter in CDCl3
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1H NMR 300 MHz C4 H4 Cl7 O3 P 0.092 g : 0.5 ml CDCl3 bis(2,2,2-trichloroethyl) phosphorochloridate 
Parameter ppm Hz
D(A) 4.754 J(A,P-31) 7.9
Hz ppm Int.1430.15 4.767 1000 1422.25 4.741 1000
in CDCl3
KBr disc
liquid film
nujol mull
