2,6-Dibromoaniline(608-30-0) IR2
Product Name2,6-Dibromoaniline
CAS608-30-0
Molecular FormulaC6H5Br2N
Molecular Weight250.92
InChIInChI=1S/C6H5Br2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2
InChIKey XIRRDAWDNHRRLB-UHFFFAOYSA-N
SmilesC1(N)=C(Br)C=CC=C1Br
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MassMS-NW-1840 2,6-dibromoaniline C6H5Br2N (Mass of molecular ion: 249)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
18.0 2.3 37.0 6.7 38.0 8.7 39.0 5.6 40.0 1.0 41.0 3.4 44.0 1.0 44.5 7.1 45.0 2.9 45.5 12.3 46.0 1.0 49.0 1.2 50.0 1.9 51.0 1.6 52.0 12.5 53.0 1.0 60.0 1.1 61.0 6.5 62.0 10.8 63.0 23.8 64.0 10.7 65.0 7.4 74.0 2.5 75.0 1.2 84.5 4.5 85.0 3.3 85.5 4.5 86.0 3.2 88.0 2.0 89.0 3.2 90.0 61.8 91.0 26.7 92.0 1.8 117.0 1.9 119.0 1.8 124.5 3.2 125.5 5.8 126.5 2.9 143.0 4.5 145.0 3.7 168.0 1.5 169.0 3.7 170.0 13.6 171.0 4.6 172.0 11.5 223.0 1.0 249.0 50.8 250.0 5.0 251.0 100.0 252.0 7.6 253.0 48.1 254.0 3.4 327.0 1.5 329.0 4.2 331.0 3.8 333.0 1.3
90 MHz in CDCl3
parameter in benzene-d6
parameter in cyclohexane
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1H NMR 89.56 MHz C6 H5 Br2 N 0.048 g : 0.5 ml CDCl3 2,6-dibromoaniline 
Assign. Shift(ppm)
A 7.353 B 6.466 C 4.4
Hz ppm Int.663.00 7.403 736 662.56 7.398 754 660.38 7.374 63 659.31 7.362 43 658.50 7.353 34 657.63 7.343 32 654.94 7.313 1000 651.50 7.275 48 650.31 7.262 33 649.75 7.255 31 586.75 6.552 237 579.19 6.468 244 578.44 6.459 237 576.31 6.435 35 570.81 6.374 168 397.56 4.440 83
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1H NMR 300 MHz C6 H5 Br2 N 3 mol% in benzene-d6 2,6-dibromoaniline Parameter ppm Hz
D(A) 7.039 D(B) 5.990 D(C) 4.02 J(A,B) 7.98 J(A,C) 0.34 J(B,C) 0.00 WASYLISHEN,R. & SCHAEFER,T. CAN.J.CHEM. 48, 1263 (1970)
Hz ppm Int.2115.74 7.052 483 2107.77 7.026 511 1804.89 6.016 171 1796.93 5.990 296 1788.94 5.963 154 1206.04 4.020 1000
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1H NMR 300 MHz C6 H5 Br2 N 3 mol% in cyclohexane 2,6-dibromoaniline Parameter ppm Hz
D(A) 7.233 D(B) 6.318 D(C) 4.42 J(A,B) 8.02 J(A,C) 0.36 J(B,C) 0.00 WASYLISHEN,R. & SCHAEFER,T. CAN.J.CHEM. 48, 1263 (1970)
Hz ppm Int.2173.97 7.247 480 2165.96 7.220 507 1903.31 6.344 175 1895.30 6.318 299 1887.29 6.291 156 1326.03 4.420 1000
in CDCl3
KBr disc
nujol mull
