DIETHYL (CHLOROMETHYL)PHOSPHONATE(3167-63-3) IR1
Product NameDIETHYL (CHLOROMETHYL)PHOSPHONATE
CAS3167-63-3
Molecular FormulaC5H12ClO3P
Molecular Weight186.57
InChIInChI=1S/C5H12ClO3P/c1-3-8-10(7,5-6)9-4-2/h3-5H2,1-2H3
InChIKey MZBIWKMCTWJLPT-UHFFFAOYSA-N
SmilesP(CCl)(=O)(OCC)OCC
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MassMS-NW-9952 diethyl chloromethylphosphonate C5H12ClO3P (Mass of molecular ion: 186)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 1.9 18.0 1.4 26.0 2.2 27.0 14.7 28.0 9.7 29.0 36.4 30.0 1.0 31.0 8.1 36.0 1.0 41.0 1.1 42.0 1.0 43.0 5.3 44.0 1.1 45.0 20.4 47.0 8.1 48.0 3.8 49.0 11.4 51.0 3.6 65.0 20.2 77.0 1.7 78.0 2.4 81.0 76.8 83.0 7.8 85.0 2.4 91.0 31.7 92.0 1.1 93.0 14.5 95.0 3.1 109.0 100.0 110.0 2.5 112.0 1.4 113.0 24.9 114.0 3.4 115.0 8.5 116.0 1.0 130.0 7.0 131.0 42.4 132.0 2.9 133.0 13.7 137.0 37.5 138.0 1.8 141.0 11.8 142.0 5.9 143.0 9.6 144.0 2.0 145.0 2.0 157.0 5.6 158.0 5.9 159.0 67.7 160.0 4.3 161.0 21.5 171.0 3.2 173.0 1.0 186.0 5.1 187.0 2.5 188.0 1.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H12 Cl O3 P 0.05 ml : 0.5 ml CDCl3 diethyl chloromethylphosphonate 
Assign. Shift(ppm)
A 4.221 B 3.367 C 1.379 J(A,P-31)=8.2HZ J(A,C)=7.2HZ J(B,P-31)=10.5HZ J(C,P-31)=0.5HZ
Hz ppm Int.393.06 4.389 110 385.88 4.309 346 384.88 4.298 141 382.88 4.276 37 378.81 4.230 399 377.63 4.217 352 374.75 4.185 36 371.81 4.152 180 370.56 4.138 353 363.63 4.061 123 324.81 3.627 562 314.31 3.510 563 130.44 1.457 528 123.44 1.379 1000 122.94 1.373 922 116.31 1.299 473
in CDCl3
liquid film
