Product NameBis(2,4-dichlorophenyl) chlorophosphate
CAS14254-41-2
Molecular FormulaC12H6Cl5O3P
Molecular Weight406.41
InChIInChI=1S/C12H6Cl5O3P/c13-7-1-3-11(9(15)5-7)19-21(17,18)20-12-4-2-8(14)6-10(12)16/h1-6H
InChIKey RHQSBXZVIMBYKW-UHFFFAOYSA-N
SmilesP(Cl)(OC1=CC=C(Cl)C=C1Cl)(OC1=CC=C(Cl)C=C1Cl)=O
Mass
MS-IW-9442 bis(2,4-dichlorophenyl) phosphorochloridate C12H6Cl5O3P (Mass of molecular ion: 404)
Source Temperature: 160 °C Sample Temperature: 160 °C Direct, 75 eV
18.0 2.3 28.0 4.8 35.0 4.6 36.0 45.8 37.0 3.3 38.0 16.4 39.0 1.4 47.0 18.5 49.0 2.1 50.0 4.8 51.0 2.4 53.0 2.0 61.0 4.1 62.0 11.2 63.0 36.7 64.0 2.0 72.0 4.1 73.0 22.2 74.0 14.6 75.0 17.5 76.0 1.0 79.0 3.2 83.0 7.6 84.0 3.5 85.0 6.9 86.0 1.6 87.0 1.7 96.0 1.0 97.0 8.7 98.0 8.0 99.0 4.5 100.0 2.5 101.0 2.1 103.0 1.1 107.0 5.4 108.0 1.4 109.0 23.6 110.0 5.1 111.0 7.6 112.0 1.6 126.0 7.7 128.0 2.5 133.0 57.7 134.0 3.8 135.0 36.8 136.0 2.3 137.0 6.6 145.0 13.9 146.0 1.6 147.0 8.9 149.0 1.7 161.0 100.0 162.0 13.4 163.0 64.2 164.0 8.2 165.0 10.9 166.0 1.4 173.0 15.8 174.0 1.2 175.0 5.4 180.0 1.2 182.0 1.2 189.0 3.8 191.0 1.3 202.0 1.8 203.0 2.8 204.0 1.8 207.0 2.0 208.0 8.9 209.0 1.9 210.0 5.7 212.0 1.0 224.0 1.9 225.0 1.6 226.0 1.3 227.0 5.5 229.0 4.6 231.0 1.5 235.0 1.0 236.0 9.5 237.0 1.9 238.0 6.4 240.0 1.1 243.0 19.6 244.0 1.5 245.0 18.4 246.0 1.3 247.0 5.9 252.0 1.1 270.0 4.0 271.0 3.2 272.0 4.1 273.0 3.1 274.0 1.7 275.0 1.0 306.0 1.3 308.0 1.6 369.0 75.1 370.0 3.9 371.0 92.2 372.0 13.5 373.0 45.7 374.0 6.4 375.0 10.0 376.0 1.4 377.0 1.0 404.0 17.5 406.0 26.5 407.0 2.3 408.0 16.8 409.0 2.5 410.0 5.1
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C12 H6 Cl5 O3 P | 0.039 g : 0.5 CDCl3 |
bis(2,4-dichlorophenyl) phosphorochloridate |
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Assign. Shift(ppm) |
Hz ppm Int.
3007.20 7.525 25 3005.49 7.521 34 3001.34 7.510 511 2999.63 7.506 1000 2998.41 7.503 595 2997.31 7.500 592 2995.97 7.497 556 2992.43 7.488 562 2990.72 7.484 564 2922.85 7.314 427 2922.36 7.313 405 2920.29 7.308 382 2919.80 7.306 370 2914.06 7.292 341 2913.45 7.291 332 2911.50 7.286 317 2911.01 7.284 295
in CDCl3
KBr disc
nujol mull
Bis(2,4-dichlorophenyl) chlorophosphate(14254-41-2) 1H NMR Atlas of Related Products
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