2,4-Dichlorobenzyl chloride(94-99-5) IR2
Product Name2,4-Dichlorobenzyl chloride
CAS94-99-5
Molecular FormulaC7H5Cl3
Molecular Weight195.47
InChIInChI=1S/C7H5Cl3/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4H2
InChIKey IRSVDHPYXFLLDS-UHFFFAOYSA-N
SmilesC1(CCl)=CC=C(Cl)C=C1Cl
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MassMS-NW-4683 alpha,2,4-trichlorotoluene C7H5Cl3 (Mass of molecular ion: 194)
Source Temperature: 260 °C Sample Temperature: 170 °C Reservoir, 75 eV
36.0 2.4 37.0 1.5 38.0 1.4 39.0 3.3 43.0 2.7 43.5 1.0 44.0 2.1 49.0 1.2 50.0 2.8 51.0 1.6 60.0 1.2 61.0 6.7 61.5 2.0 62.0 6.8 63.0 8.6 73.0 5.6 74.0 1.5 75.0 2.3 79.0 3.2 79.5 1.2 80.0 2.0 85.0 1.7 86.0 2.1 87.0 2.7 88.0 1.1 89.0 11.6 97.0 3.2 99.0 2.9 123.0 12.2 124.0 5.2 125.0 5.0 126.0 1.7 133.0 2.6 135.0 1.6 158.0 1.1 159.0 100.0 160.0 8.3 161.0 61.7 162.0 5.2 163.0 10.2 193.0 3.0 194.0 16.8 195.0 4.2 196.0 15.9 197.0 2.1 198.0 5.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H5 Cl3 0.02 ml : 0.5 ml CDCl3 alpha,2,4-trichlorotoluene 
Assign. Shift(ppm)
A 4.648 B 7.264 C 7.38 D 7.41
Hz ppm Int.667.75 7.456 104 667.31 7.451 92 664.50 7.420 202 662.63 7.399 267 659.44 7.364 334 657.69 7.344 35 653.19 7.294 289 651.31 7.273 211 644.94 7.202 83 642.94 7.179 71 416.31 4.649 1000
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
