Benzyl chloride(100-44-7) IR1
Product NameBenzyl chloride
CAS100-44-7
Molecular FormulaC7H7Cl
Molecular Weight126.58
InChIInChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey KCXMKQUNVWSEMD-UHFFFAOYSA-N
SmilesC1(CCl)=CC=CC=C1
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MassMS-NW-0069 benzyl chloride C7H7Cl (Mass of molecular ion: 126)
Source Temperature: 220 °C Sample Temperature: 55 °C Reservoir, 75 eV
38.0 1.9 39.0 6.8 41.0 1.0 45.0 1.1 50.0 2.9 51.0 3.8 52.0 1.0 61.0 1.2 62.0 2.8 63.0 7.0 64.0 1.8 65.0 10.8 89.0 5.8 90.0 2.5 91.0 100.0 92.0 7.8 125.0 2.8 126.0 24.9 127.0 2.7 128.0 7.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H7 Cl 0.04 ml : 0.5 ml CDCl3 benzyl chloride 
Assign. Shift(ppm)
A 7.46 to 7.22 B 4.563
Hz ppm Int.664.63 7.422 34 664.13 7.416 32 662.31 7.396 25 659.38 7.363 229 657.31 7.340 967 655.75 7.322 245 653.13 7.293 59 650.00 7.258 30 649.44 7.252 33 408.69 4.564 1000
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
REACTION WITH NA AT 77K
