1,4-BIS(TRICHLOROMETHYL)BENZENE(68-36-0) IR2
Product Name1,4-BIS(TRICHLOROMETHYL)BENZENE
CAS68-36-0
Molecular FormulaC8H4Cl6
Molecular Weight312.84
InChIInChI=1S/C8H4Cl6/c9-7(10,11)5-1-2-6(4-3-5)8(12,13)14/h1-4H
InChIKey OTEKOJQFKOIXMU-UHFFFAOYSA-N
SmilesC1(C(Cl)(Cl)Cl)=CC=C(C(Cl)(Cl)Cl)C=C1
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MassMS-NW-9551 alpha,alpha,alpha,alpha',alpha',alpha'-hexachloro-p-xylene C8H4Cl6 (Mass of molecular ion: 310)
Source Temperature: 170 °C Sample Temperature: 100 °C Direct, 75 eV
18.0 2.2 36.0 2.5 49.0 1.3 50.0 2.0 61.0 1.1 62.0 1.4 66.5 1.2 67.0 2.5 73.0 1.6 74.0 2.4 75.0 1.4 84.0 2.3 85.0 9.6 85.5 1.0 86.0 5.8 87.0 1.6 97.0 1.2 98.0 2.0 99.0 3.7 102.0 3.4 102.5 1.3 103.0 3.4 103.5 1.3 104.0 1.1 108.0 1.2 109.0 2.0 120.0 13.2 120.5 1.2 121.0 16.7 121.5 1.5 122.0 8.1 123.0 2.7 133.0 2.7 134.0 1.8 135.0 3.6 137.0 1.4 138.0 1.0 169.0 2.4 170.0 14.3 171.0 2.7 172.0 9.3 173.0 1.0 174.0 1.5 204.0 1.2 205.0 2.4 206.0 1.4 207.0 2.3 240.0 38.7 241.0 4.2 242.0 49.3 243.0 5.0 244.0 23.8 245.0 2.2 246.0 5.2 275.0 62.5 276.0 5.9 277.0 100.0 278.0 9.1 279.0 63.9 280.0 5.6 281.0 20.5 282.0 1.8 283.0 3.3 310.0 3.9 312.0 7.4 313.0 1.0 314.0 5.9 316.0 2.5
parameter in CDCl3
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1H NMR 300 MHz C8 H4 Cl6 0.043 g : 0.5 ml CDCl3 alpha,alpha,alpha,alpha',alpha',alpha'-hexachloro-p-xylene 
Parameter ppm Hz
D(A) 7.997
Hz ppm Int.2399.10 7.997 1000
in CDCl3
CCl4 solution
KBr disc
nujol mull
4880 A,100M,powder
