Phenyl dichlorophosphate(770-12-7) IR1
Product NamePhenyl dichlorophosphate
CAS770-12-7
Molecular FormulaC6H5Cl2O2P
Molecular Weight210.98
InChIInChI=1S/C6H5Cl2O2P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H
InChIKey TXFOLHZMICYNRM-UHFFFAOYSA-N
SmilesP(Cl)(Cl)(OC1=CC=CC=C1)=O
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MassMS-NW-5120 phenyl dichlorophosphate C6H5Cl2O2P (Mass of molecular ion: 210)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
26.0 1.8 27.0 5.2 28.0 2.9 29.0 8.3 35.0 1.8 36.0 6.5 37.0 3.1 38.0 9.2 39.0 37.0 40.0 1.3 47.0 12.6 49.0 1.0 50.0 12.8 51.0 17.9 52.0 1.3 53.0 2.1 61.0 1.7 62.0 3.7 63.0 11.2 64.0 6.5 65.0 61.9 66.0 3.9 74.0 3.3 75.0 4.5 76.0 30.5 77.0 35.7 78.0 2.7 81.0 3.5 82.0 1.3 92.0 5.5 93.0 21.6 94.0 3.0 100.0 2.0 109.0 5.2 111.0 1.2 112.0 3.3 114.0 1.1 117.0 10.5 119.0 6.9 121.0 1.2 128.0 2.6 130.0 1.0 139.0 26.4 140.0 4.7 146.0 1.5 152.0 2.1 154.0 2.1 156.0 1.0 169.0 1.2 170.0 1.9 174.0 100.0 175.0 18.3 176.0 33.9 177.0 6.1 182.0 2.8 184.0 1.9 210.0 97.6 211.0 7.2 212.0 62.7 213.0 4.4 214.0 10.5 232.0 1.4 267.0 1.9 268.0 4.7 269.0 1.3 270.0 1.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H5 Cl2 O2 P 0.04 ml : 0.5 ml CDCl3 phenyl dichlorophosphate 
Assign. Shift(ppm)
A 7.36 to 7.31
Hz ppm Int.665.19 7.428 170 664.06 7.415 234 663.31 7.407 198 662.50 7.398 234 659.56 7.365 1000 658.38 7.352 551 656.75 7.334 758 654.81 7.312 626 653.50 7.297 271 652.69 7.288 280 651.25 7.272 246 650.50 7.264 212 648.69 7.244 199 647.88 7.235 179
in CDCl3
liquid film
