5-Chloro-2-nitroaniline(1635-61-6) IR1
Product Name5-Chloro-2-nitroaniline
CAS1635-61-6
Molecular FormulaC6H5ClN2O2
Molecular Weight172.57
InChIInChI=1S/C6H5ClN2O2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H,8H2
InChIKey ZCWXYZBQDNFULS-UHFFFAOYSA-N
SmilesC1(N)=CC(Cl)=CC=C1[N+]([O-])=O
-
MassMS-NW-7830 5-chloro-2-nitroaniline C6H5ClN2O2 (Mass of molecular ion: 172)
Source Temperature: 170 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 1.1 28.0 4.2 30.0 2.8 37.0 2.3 38.0 4.6 39.0 6.3 40.0 1.2 41.0 3.8 44.5 1.0 49.0 1.4 50.0 2.7 51.0 4.8 52.0 13.0 53.0 1.7 61.0 3.6 62.0 8.7 63.0 28.0 64.0 8.1 65.0 5.5 66.0 1.3 73.0 7.2 74.0 2.0 75.0 3.3 76.0 4.2 77.0 1.1 78.0 4.8 79.0 1.0 87.0 1.8 88.0 1.4 89.0 3.2 90.0 27.6 91.0 11.3 92.0 1.0 97.0 1.0 98.0 2.1 99.0 36.4 100.0 3.3 101.0 11.4 102.0 1.0 103.0 1.4 112.0 1.2 114.0 13.9 115.0 1.1 116.0 4.6 124.0 2.0 125.0 4.4 126.0 38.0 127.0 3.8 128.0 12.1 142.0 19.4 143.0 1.5 144.0 6.2 155.0 3.7 156.0 2.5 157.0 1.4 172.0 100.0 173.0 7.8 174.0 31.6 175.0 2.4
parameter in CDCl3
-
1H NMR 300 MHz C6 H5 Cl N2 O2 0.035 g : 0.5 ml CDCl3 5-chloro-2-nitroaniline 
Parameter ppm Hz
D(A) 8.060 D(B) 6.836 D(C) 6.664 J(A,B) 0. J(A,C) 9.1 J(B,C) 2.1 D(D) 6.16
Hz ppm Int.2422.60 8.075 915 2413.51 8.045 955 2051.87 6.840 926 2049.79 6.833 1000 2004.72 6.682 514 2002.65 6.675 474 1995.63 6.652 490 1993.55 6.645 456 1848.00 6.160 137
in CDCl3
KBr disc
nujol mull
