4-Chloroaniline(106-47-8) MS
Product Name4-Chloroaniline
CAS106-47-8
Molecular FormulaC6H6ClN
Molecular Weight127.57
InChIInChI=1S/C6H6ClN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
InChIKey QSNSCYSYFYORTR-UHFFFAOYSA-N
SmilesC1(N)=CC=C(Cl)C=C1
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MassMS-NW-1780 p-chloroaniline C6H6ClN (Mass of molecular ion: 127)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
28.0 3.4 37.0 2.3 38.0 3.3 39.0 7.4 40.0 1.2 41.0 3.9 42.0 1.2 44.5 1.6 45.5 7.2 50.0 2.2 51.0 1.7 52.0 3.1 61.0 1.8 62.0 2.9 63.0 6.3 64.0 5.6 65.0 24.2 66.0 3.0 73.0 3.2 74.0 1.2 75.0 2.0 90.0 2.0 91.0 11.2 92.0 18.0 93.0 1.2 99.0 5.4 100.0 8.7 101.0 2.4 102.0 2.8 126.0 1.9 127.0 100.0 128.0 7.5 129.0 32.4 130.0 2.3 196.0 1.3 210.0 1.8 287.0 1.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H6 Cl N 0.045 g : 0.5 ml CDCl3 p-chloroaniline 
Assign. Shift(ppm)
A 7.074 B 6.574 C 3.57 J(A,B)=8.8HZ
Hz ppm Int.641.69 7.165 66 638.69 7.132 739 636.44 7.107 242 635.00 7.091 43 634.69 7.087 42 632.13 7.059 296 629.81 7.033 1000 626.75 6.999 128 595.44 6.649 108 592.38 6.615 998 590.13 6.590 271 585.75 6.541 234 583.56 6.516 625 580.44 6.482 69 319.56 3.569 359
in CDCl3
CCl4 solution
KBr disc
nujol mull
4880 A,200 M,powder
OXIDATION WITH PERBENZOIC ACID
