2-NITROBENZYL CHLORIDE(612-23-7) IR1
Product Name2-NITROBENZYL CHLORIDE
CAS612-23-7
Molecular FormulaC7H6ClNO2
Molecular Weight171.58
InChIInChI=1S/C7H6ClNO2/c8-5-6-3-1-2-4-7(6)9(10)11/h1-4H,5H2
InChIKey BXCBUWKTXLWPSB-UHFFFAOYSA-N
SmilesC1(CCl)=CC=CC=C1[N+]([O-])=O
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MassMS-NW-8850 o-nitrobenzyl chloride C7H6ClNO2 (Mass of molecular ion: 171)
Source Temperature: 260 °C Sample Temperature: 140 °C Reservoir, 75 eV
18.0 1.9 26.0 1.4 27.0 3.6 28.0 5.6 29.0 2.8 30.0 10.1 36.0 3.1 37.0 3.0 38.0 8.3 39.0 28.6 40.0 3.6 41.0 1.9 43.0 1.0 44.0 1.4 46.0 1.3 49.0 2.5 50.0 16.1 51.0 31.6 52.0 11.0 53.0 4.7 61.0 4.8 62.0 15.7 63.0 49.2 64.0 15.5 65.0 75.0 66.0 6.0 73.0 7.0 74.0 4.1 75.0 7.8 76.0 6.3 77.0 49.8 78.0 44.2 79.0 13.6 80.0 17.3 81.0 2.3 85.0 1.9 86.0 3.5 87.0 3.6 88.0 1.6 89.0 100.0 90.0 47.8 91.0 12.4 92.0 88.4 93.0 7.1 97.0 1.2 99.0 26.6 100.0 2.1 101.0 8.5 104.0 1.2 105.0 15.2 106.0 4.8 108.0 29.9 109.0 2.3 112.0 1.3 118.0 2.4 119.0 6.6 120.0 2.8 123.0 1.0 124.0 3.0 125.0 19.3 126.0 11.5 127.0 7.0 128.0 3.5 136.0 53.7 137.0 4.3 154.0 1.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H6 Cl N O2 0.048 g : 0.5 ml CDCl3 o-nitrobenzyl chloride 
Assign. Shift(ppm)
A 8.043 B 6.66 C 7.65 D 7.50 E 4.970
Hz ppm Int.725.88 8.105 67 724.94 8.095 109 723.38 8.078 60 718.00 8.017 125 716.44 8.000 104 690.38 7.709 172 689.00 7.694 239 686.06 7.661 223 685.00 7.649 296 683.50 7.632 203 679.50 7.588 136 677.75 7.568 49 675.63 7.544 81 674.13 7.528 57 671.88 7.503 85 666.13 7.438 43 445.25 4.972 1000
in CDCl3
KBr disc
nujol mull
