4-Chloro-2-nitroaniline (89-63-4) MS
Product Name4-Chloro-2-nitroaniline
CAS89-63-4
Molecular FormulaC6H5ClN2O2
Molecular Weight172.57
InChIInChI=1S/C6H5ClN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2
InChIKey PBGKNXWGYQPUJK-UHFFFAOYSA-N
SmilesC1(N)=CC=C(Cl)C=C1[N+]([O-])=O
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MassMS-NW-1695 4-chloro-2-nitroaniline C6H5ClN2O2 (Mass of molecular ion: 172)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.2 17.0 1.6 18.0 7.2 26.0 1.7 27.0 2.0 28.0 4.0 30.0 6.5 36.0 1.3 37.0 7.5 38.0 10.4 39.0 12.1 40.0 3.3 41.0 8.3 42.0 1.0 44.0 3.6 44.5 2.8 45.5 1.8 47.0 1.1 49.0 3.9 50.0 7.2 51.0 10.3 52.0 24.1 53.0 3.7 54.0 1.8 60.0 1.6 61.0 9.0 62.0 17.5 63.0 55.3 64.0 16.2 65.0 10.4 66.0 2.9 72.0 2.9 73.0 15.9 74.0 4.2 75.0 7.0 76.0 6.9 77.0 2.3 78.0 9.5 79.0 1.9 85.0 1.0 86.0 2.3 87.0 3.7 88.0 2.6 89.0 5.4 90.0 48.6 91.0 21.1 92.0 2.1 97.0 2.1 98.0 4.5 99.0 57.4 100.0 6.4 101.0 18.8 102.0 1.7 103.0 2.8 105.0 1.3 111.0 1.0 112.0 1.1 113.0 1.0 114.0 17.0 115.0 1.3 116.0 5.5 124.0 2.6 125.0 5.6 126.0 83.1 127.0 7.2 128.0 26.4 129.0 1.8 142.0 9.4 144.0 3.0 155.0 2.8 156.0 2.0 157.0 1.2 172.0 100.0 173.0 7.9 174.0 33.3 175.0 2.5
90 MHz in DMSO-d6
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1H NMR 89.56 MHz C6 H5 Cl N2 O2 0.041 g : 0.5 ml DMSO-d6 4-chloro-2-nitroaniline 
Assign. Shift(ppm)
A 7.946 B 7.55 C 7.434 D 7.081
Hz ppm Int.712.69 7.958 749 710.25 7.931 807 707.00 7.895 45 693.56 7.745 36 692.81 7.736 38 692.31 7.731 36 691.69 7.724 38 690.56 7.711 45 689.88 7.703 45 689.25 7.696 52 687.88 7.681 53 687.25 7.674 57 686.31 7.664 66 685.88 7.659 67 685.44 7.654 67 684.88 7.648 77 683.56 7.633 90 683.25 7.629 95 682.81 7.625 98 681.69 7.612 130 675.88 7.547 488 675.31 7.541 487 671.81 7.502 579 669.31 7.474 408 668.06 7.460 134 666.31 7.440 89 664.69 7.422 129 662.69 7.400 617 660.19 7.372 564 657.75 7.345 63 657.06 7.337 57 655.63 7.321 44 654.69 7.311 37 654.25 7.306 41 637.31 7.117 1000 634.50 7.085 44 634.00 7.080 38 628.19 7.015 589 626.13 6.992 36
in DMSO-d6
KBr disc
nujol mull
