2-Chloro-4-nitroaniline(121-87-9) MS
Product Name2-Chloro-4-nitroaniline
CAS121-87-9
Molecular FormulaC6H5ClN2O2
Molecular Weight172.57
InChIInChI=1S/C6H5ClN2O2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H,8H2
InChIKey LOCWBQIWHWIRGN-UHFFFAOYSA-N
SmilesC1(N)=CC=C([N+]([O-])=O)C=C1Cl
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MassMS-NW-3782 2-chloro-4-nitroaniline C6H5ClN2O2 (Mass of molecular ion: 172)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
18.0 1.3 26.0 1.1 27.0 1.4 28.0 3.3 30.0 8.2 36.0 1.2 37.0 4.0 38.0 5.5 39.0 10.2 40.0 1.9 41.0 7.5 42.0 1.3 44.0 1.0 44.5 1.5 49.0 1.8 50.0 3.0 51.0 6.4 52.0 17.8 53.0 2.5 54.0 1.4 61.0 5.1 62.0 10.1 63.0 35.3 64.0 9.6 65.0 7.1 66.0 1.9 72.0 1.4 73.0 9.3 74.0 2.6 75.0 4.6 76.0 1.3 77.0 1.6 78.0 4.5 79.0 2.1 80.0 2.3 86.0 1.0 87.0 2.6 88.0 1.9 89.0 4.0 90.0 90.1 91.0 15.9 92.0 1.2 97.0 1.7 98.0 1.9 99.0 29.0 100.0 3.4 101.0 9.0 102.0 1.1 105.0 1.8 106.0 2.9 107.0 4.8 114.0 12.5 115.0 1.0 116.0 4.3 122.0 1.7 125.0 2.9 126.0 36.8 127.0 3.6 128.0 11.9 129.0 1.0 142.0 58.3 143.0 4.6 144.0 19.6 145.0 1.6 156.0 3.8 158.0 1.4 172.0 100.0 173.0 7.8 174.0 33.1 175.0 2.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H5 Cl N2 O2 0.049 g : 0.5 ml CDCl3 2-chloro-4-nitroaniline 
Assign. Shift(ppm)
A 8.19 B 7.99 C 6.76 D 4.84
Hz ppm Int.735.25 8.210 809 734.75 8.205 826 733.19 8.187 1000 720.94 8.050 491 719.75 8.037 435 719.38 8.033 427 719.00 8.029 425 718.81 8.027 425 712.13 7.952 552 710.31 7.932 486 709.94 7.927 485 609.81 6.809 789 604.38 6.749 136 600.94 6.710 680 432.75 4.832 423
in CDCl3
KBr disc
nujol mull
