3-Chloropropionyl chloride(625-36-5) Raman
Product Name3-Chloropropionyl chloride
CAS625-36-5
Molecular FormulaC3H4Cl2O
Molecular Weight126.97
InChIInChI=1S/C3H4Cl2O/c4-2-1-3(5)6/h1-2H2
InChIKey INUNLMUAPJVRME-UHFFFAOYSA-N
SmilesC(Cl)(=O)CCCl
-
MassMS-NW-2896 3-chloropropionyl chloride C3H4Cl2O (Mass of molecular ion: 126)
Source Temperature: 210 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.7 25.0 3.1 26.0 15.3 27.0 88.3 28.0 9.6 29.0 1.2 35.0 2.8 36.0 8.4 37.0 1.1 38.0 2.7 42.0 3.4 49.0 4.9 51.0 1.4 55.0 24.7 61.0 2.8 62.0 7.3 63.0 46.1 64.0 3.3 65.0 14.5 91.0 100.0 92.0 3.5 93.0 31.1 94.0 1.2
90 MHz in CDCl3
-
1H NMR 89.56 MHz C3 H4 Cl2 O 0.05 ml : 0.5 ml CDCl3 3-chloropropionyl chloride 
Assign. Shift(ppm)
A 3.762 B 3.363
Hz ppm Int.344.81 3.851 325 343.63 3.837 364 342.06 3.820 23 341.75 3.816 23 338.88 3.784 391 338.13 3.776 467 337.44 3.768 1000 332.13 3.709 624 331.44 3.701 619 329.00 3.674 60 309.25 3.453 51 306.81 3.426 593 306.13 3.419 623 303.06 3.384 23 300.81 3.359 979 300.13 3.352 476 299.38 3.343 407 296.88 3.315 28 294.63 3.290 350 293.44 3.277 322
in CDCl3
liquid film
