Product Name3,5-Dichloroaniline
CAS626-43-7
Molecular FormulaC6H5Cl2N
Molecular Weight162.02
InChIInChI=1S/C6H5Cl2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2
InChIKey UQRLKWGPEVNVHT-UHFFFAOYSA-N
SmilesC1(N)=CC(Cl)=CC(Cl)=C1
Mass
MS-NW-1615 3,5-dichloroaniline C6H5Cl2N (Mass of molecular ion: 161)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
28.0 2.7 37.0 2.5 38.0 3.0 39.0 3.0 41.0 2.8 44.5 4.2 45.5 1.3 49.0 1.0 50.0 1.4 52.0 3.6 61.0 3.4 62.0 5.9 62.5 4.9 63.0 13.4 63.5 1.5 64.0 3.2 65.0 2.2 73.0 4.6 74.0 1.7 75.0 1.7 80.5 4.5 81.5 2.9 88.0 1.0 89.0 2.2 90.0 17.1 91.0 4.5 97.0 1.4 98.0 2.3 99.0 14.8 100.0 1.7 101.0 5.1 124.0 1.0 125.0 6.5 126.0 12.2 127.0 2.8 128.0 3.8 133.0 3.2 134.0 4.3 135.0 2.4 136.0 2.6 160.0 1.0 161.0 100.0 162.0 7.5 163.0 64.0 164.0 4.6 165.0 10.2
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C6 H5 Cl2 N | 0.044 g : 0.5 ml CDCl3 |
3,5-dichloroaniline |
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Assign. Shift(ppm) |
Hz ppm Int.
603.06 6.734 190 601.25 6.714 367 599.56 6.695 297 584.75 6.530 1000 583.00 6.510 817 581.44 6.493 42 338.44 3.779 43
in CDCl3
CCl4 solution
KBr disc
nujol mull
OXIDATION WITH PERBENZOIC ACID
3,5-Dichloroaniline(626-43-7) 13C NMR Atlas of Related Products
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