5-CHLORO-M-PHENYLENEDIAMINE(33786-89-9) MS
Product Name5-CHLORO-M-PHENYLENEDIAMINE
CAS33786-89-9
Molecular FormulaC6H7ClN2
Molecular Weight142.59
InChIInChI=1S/C6H7ClN2/c7-4-1-5(8)3-6(9)2-4/h1-3H,8-9H2
InChIKey VZNUCJOYPXKLTA-UHFFFAOYSA-N
SmilesC1(N)=CC(Cl)=CC(N)=C1
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MassMS-NW-4691 5-chloro-m-phenylenediamine C6H7ClN2 (Mass of molecular ion: 142)
Source Temperature: 260 °C Sample Temperature: 170 °C Reservoir, 75 eV
18.0 1.8 27.0 1.1 28.0 3.1 37.0 1.6 38.0 3.3 39.0 4.3 40.0 2.6 41.0 3.3 42.0 3.7 43.0 1.2 50.0 2.6 51.0 6.1 52.0 7.2 53.0 8.7 54.0 2.1 61.0 1.1 62.0 2.2 63.0 4.3 64.0 1.3 65.0 2.8 66.0 4.0 67.0 3.1 71.0 4.8 72.0 1.9 73.0 1.3 75.0 1.0 76.0 1.6 77.0 1.9 78.0 12.3 79.0 5.0 80.0 34.4 81.0 2.4 87.0 1.7 89.0 1.3 90.0 3.3 105.0 3.3 106.0 3.1 107.0 12.0 108.0 1.0 114.0 14.9 115.0 6.5 116.0 5.5 117.0 2.1 125.0 3.2 127.0 1.2 141.0 4.1 142.0 100.0 143.0 8.6 144.0 31.7 145.0 2.6
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H7 Cl N2 0.042 g : 0.5 ml CDCl3 5-chloro-m-phenylenediamine 
Assign. Shift(ppm)
A 6.083 B 5.839 C 3.56 J(A,B)=2.0HZ.
Hz ppm Int.546.00 6.097 792 544.06 6.075 1000 525.00 5.862 207 522.94 5.839 329 521.00 5.818 173 318.38 3.555 335
in CDCl3
KBr disc
nujol mull
