Product NamePENTAERYTHRITYL TETRACHLORIDE
CAS3228-99-7
Molecular FormulaC5H8Cl4
Molecular Weight209.93
InChIInChI=1S/C5H8Cl4/c6-1-5(2-7,3-8)4-9/h1-4H2
InChIKey KPZGRMZPZLOPBS-UHFFFAOYSA-N
SmilesC(Cl)C(CCl)(CCl)CCl
Mass
MS-IW-9548 1,3-dichloro-2,2-bis(chloromethyl)propane C5H8Cl4 (Mass of molecular ion: 208)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
26.0 2.3 27.0 17.2 28.0 1.0 36.0 4.5 37.0 1.7 38.0 4.0 39.0 21.1 40.0 2.0 41.0 4.4 47.0 1.0 48.0 1.0 49.0 23.7 50.0 5.8 51.0 27.6 52.0 2.7 53.0 15.4 61.0 8.0 62.0 3.5 63.0 10.1 64.0 1.3 65.0 15.2 66.0 1.3 67.0 1.1 73.0 4.5 74.0 2.1 75.0 25.3 76.0 11.2 77.0 8.0 78.0 3.5 83.0 4.6 85.0 4.1 87.0 56.9 88.0 6.8 89.0 26.2 90.0 2.5 91.0 2.6 96.0 1.1 97.0 13.0 98.0 1.0 99.0 9.1 101.0 21.4 102.0 1.4 103.0 6.5 109.0 3.2 110.0 5.2 111.0 2.1 112.0 3.3 122.0 3.1 123.0 100.0 124.0 7.4 125.0 63.8 126.0 3.8 127.0 10.3 136.0 70.3 137.0 11.5 138.0 45.0 139.0 7.5 140.0 7.5 141.0 1.3 158.0 3.6 159.0 16.7 160.0 4.2 161.0 16.0 162.0 1.8 163.0 5.2 172.0 4.9 174.0 4.6 176.0 1.5
parameter in CDCl3
1H NMR | 300 MHz |
C5 H8 Cl4 | 0.038 g : 0.5 ml CDCl3 |
1,3-dichloro-2,2-bis(chloromethyl)propane |
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Parameter ppm Hz |
Hz ppm Int.
1104.00 3.680 1000
in CDCl3
KBr disk
nujol mull
PENTAERYTHRITYL TETRACHLORIDE(3228-99-7) IR2 Atlas of Related Products