2,6-Dichloroaniline(608-31-1) IR1
Product Name2,6-Dichloroaniline
CAS608-31-1
Molecular FormulaC6H5Cl2N
Molecular Weight162.02
InChIInChI=1S/C6H5Cl2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2
InChIKey JDMFXJULNGEPOI-UHFFFAOYSA-N
SmilesC1(N)=C(Cl)C=CC=C1Cl
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MassMS-NW-1866 2,6-dichloroaniline C6H5Cl2N (Mass of molecular ion: 161)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
26.0 1.1 28.0 5.0 36.0 1.5 37.0 8.1 38.0 9.3 39.0 7.1 41.0 2.5 44.0 1.2 44.5 6.8 45.0 1.4 45.5 2.0 47.0 1.8 48.0 1.2 49.0 2.5 50.0 3.0 51.0 2.8 52.0 12.0 53.0 1.1 60.0 1.8 61.0 7.7 62.0 13.4 62.5 4.8 63.0 29.1 63.5 1.5 64.0 7.2 65.0 6.8 66.0 1.1 72.0 2.9 73.0 9.6 74.0 3.5 75.0 4.3 76.0 1.2 80.5 3.3 81.5 1.9 86.0 1.5 87.0 1.1 88.0 2.4 89.0 7.0 90.0 41.2 91.0 6.3 97.0 2.9 98.0 5.2 99.0 12.6 100.0 3.0 101.0 4.3 124.0 2.1 125.0 12.9 126.0 12.6 127.0 5.1 128.0 3.9 133.0 3.7 134.0 2.0 135.0 2.6 136.0 1.3 160.0 1.1 161.0 100.0 162.0 7.8 163.0 63.9 164.0 4.6 165.0 10.0
parameter in cyclohexane
90 MHz in CDCl3
parameter in benzene-d6
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1H NMR 300 MHz C6 H5 Cl2 N 3 mol% in cyclohexane 2,6-dichloroaniline 
Parameter ppm Hz
D(A) 7.035 D(B) 6.452 D(C) 4.32 J(A,B) 8.10 J(A,C) 0.33 J(B,C) 0.00 WASYLISHEN,R. & SCHAEFER,T. CAN.J.CHEM. 48, 1263 (1970)
Hz ppm Int.2114.65 7.049 467 2106.56 7.022 504 1943.52 6.478 174 1935.42 6.451 251 1927.33 6.424 145 1296.04 4.320 1000
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1H NMR 89.56 MHz C6 H5 Cl2 N 0.046 g : 0.5 ml CDCl3 2,6-dichloroaniline Assign. Shift(ppm)
A 7.154 B 6.593 C 4.4
Hz ppm Int.645.50 7.208 627 644.69 7.199 661 642.75 7.177 46 642.31 7.172 42 641.81 7.167 41 641.44 7.163 38 640.63 7.154 35 637.31 7.117 1000 636.88 7.112 940 634.38 7.084 46 597.94 6.677 469 590.56 6.595 369 589.31 6.581 316 588.00 6.566 36 581.94 6.498 259 395.44 4.416 86
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1H NMR 300 MHz C6 H5 Cl2 N 3 mol% in benzene-d6 2,6-dichloroaniline Parameter ppm Hz
D(A) 6.851 D(B) 6.126 D(C) 3.87 J(A,B) 8.08 J(A,C) 0.34 J(B,C) 0.00 WASYLISHEN,R. & SCHAEFER,T. CAN.J.CHEM. 48, 1263 (1970)
Hz ppm Int.2059.41 6.865 472 2051.34 6.838 509 1845.72 6.152 173 1837.68 6.126 282 1829.60 6.099 150 1161.02 3.870 1000
in CDCl3
KBr disc
nujol mull
