2,5-Dibromonitrobenzene(3460-18-2) MS
Product Name2,5-Dibromonitrobenzene
CAS3460-18-2
Molecular FormulaC6H3Br2NO2
Molecular Weight280.9
InChIInChI=1S/C6H3Br2NO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H
InChIKey WRGKKASJBOREMB-UHFFFAOYSA-N
SmilesC1(Br)=CC=C(Br)C=C1[N+]([O-])=O
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MassMS-NW-1241 1,4-dibromo-2-nitrobenzene C6H3Br2NO2 (Mass of molecular ion: 279)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
18.0 1.3 28.0 2.6 30.0 40.3 36.0 1.7 37.0 11.0 38.0 9.0 39.0 1.3 46.0 1.3 49.0 5.5 50.0 12.4 51.0 1.6 60.0 1.1 61.0 4.5 62.0 5.1 63.0 14.3 64.0 1.7 72.0 1.0 73.0 11.4 74.0 66.5 75.0 90.5 76.0 7.9 77.0 1.7 78.0 1.5 79.0 1.3 81.0 1.2 88.0 1.0 104.0 1.1 106.0 1.0 117.0 2.7 119.0 2.5 128.0 4.2 129.0 1.3 130.0 4.2 131.0 1.3 142.0 1.9 143.0 1.0 144.0 2.0 153.0 18.5 154.0 37.1 155.0 20.4 156.0 35.8 157.0 2.8 170.0 15.9 171.0 1.3 172.0 17.3 173.0 1.3 174.0 2.1 200.0 6.7 202.0 6.6 221.0 23.7 222.0 1.4 223.0 45.6 224.0 2.7 225.0 22.8 226.0 1.3 233.0 33.0 234.0 2.7 235.0 63.8 236.0 4.6 237.0 30.7 238.0 2.1 249.0 2.6 251.0 5.5 253.0 2.6 265.0 1.2 279.0 50.7 280.0 3.8 281.0 100.0 282.0 7.2 283.0 48.9 284.0 3.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H3 Br2 N O2 0.043 g : 0.5 ml CDCl3 1,4-dibromo-2-nitrobenzene 
Assign. Shift(ppm)
A 7.982 B 7.62 C 7.55
Hz ppm Int.716.19 7.997 205 715.38 7.988 232 714.44 7.978 228 713.63 7.969 243 689.06 7.694 24 688.25 7.685 53 680.50 7.599 577 679.75 7.590 1000 678.00 7.571 501 671.25 7.495 30 669.50 7.476 47
in CDCl3
CCl4 solution
KBr disc
nujol mull
4880 A,100M,powder
