4-Chloro-3-nitroaniline (635-22-3) IR1
Product Name4-Chloro-3-nitroaniline
CAS635-22-3
Molecular FormulaC6H5ClN2O2
Molecular Weight172.57
InChIInChI=1S/C6H5ClN2O2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,8H2
InChIKey FOHHWGVAOVDVLP-UHFFFAOYSA-N
SmilesC1(N)=CC=C(Cl)C([N+]([O-])=O)=C1
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MassMS-NW-7383 4-chloro-3-nitroaniline C6H5ClN2O2 (Mass of molecular ion: 172)
Source Temperature: 140 °C Sample Temperature: 120 °C Direct, 75 eV
28.0 3.9 30.0 3.0 37.0 2.8 38.0 3.3 39.0 5.8 40.0 1.9 41.0 9.1 44.5 1.5 46.0 1.2 49.0 1.8 50.0 2.5 51.0 4.2 52.0 8.1 53.0 1.7 54.0 1.7 61.0 4.0 62.0 9.5 63.0 32.6 64.0 9.7 65.0 6.6 66.0 2.4 72.0 2.4 73.0 10.5 74.0 2.7 75.0 4.5 76.0 2.1 78.0 4.4 79.0 2.0 86.0 1.6 87.0 2.1 88.0 1.6 89.0 4.6 90.0 43.3 91.0 17.6 92.0 1.4 97.0 1.1 98.0 1.4 99.0 59.2 100.0 5.0 101.0 19.6 102.0 1.5 106.0 1.1 109.0 1.5 114.0 16.0 115.0 1.2 116.0 5.6 125.0 3.8 126.0 90.9 127.0 8.3 128.0 29.8 129.0 2.6 137.0 5.1 142.0 2.8 143.0 1.0 144.0 1.8 172.0 100.0 173.0 8.3 174.0 33.1 175.0 2.6
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C6 H5 Cl N2 O2 0.038 g : 0.5 ml DMSO-d6 4-chloro-3-nitroaniline 
Assign. Shift(ppm)
A 7.321 B 7.145 C 6.848 D 5.94
Hz ppm Int.2929.93 7.332 436 2921.75 7.311 463 2855.59 7.146 677 2740.36 6.857 414 2732.91 6.839 393 2375.73 5.945 1000
in DMSO-d6
in CDCl3
KBr disc
nujol mull
