2-BROMO-6-CHLORO-4-NITROANILINE(99-29-6) MS
Product Name2-BROMO-6-CHLORO-4-NITROANILINE
CAS99-29-6
Molecular FormulaC6H4BrClN2O2
Molecular Weight251.47
InChIInChI=1S/C6H4BrClN2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2
InChIKey GLUCALKKMFBJEB-UHFFFAOYSA-N
SmilesC1(N)=C(Cl)C=C([N+]([O-])=O)C=C1Br
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MassMS-IW-8381 2-bromo-6-chloro-4-nitroaniline C6H4BrClN2O2 (Mass of molecular ion: 250)
Source Temperature: 150 °C Sample Temperature: 120 °C Direct, 75 eV
28.0 2.3 30.0 3.5 37.0 2.4 38.0 2.3 39.0 2.4 44.5 3.1 49.0 1.1 50.0 1.7 51.0 2.2 52.0 11.3 53.0 1.1 60.0 1.2 61.0 7.9 62.0 13.7 62.5 1.5 63.0 13.3 64.0 2.1 65.0 4.4 73.0 3.5 74.0 2.5 75.0 2.8 76.0 2.3 77.0 1.2 78.0 3.5 86.0 1.8 87.0 1.8 88.0 4.1 89.0 12.1 90.0 20.1 91.0 1.6 96.0 1.1 97.0 5.3 98.0 3.3 99.0 2.4 100.0 1.2 112.0 1.1 113.0 1.6 117.0 1.1 119.0 1.4 124.0 38.3 125.0 21.3 126.0 13.2 127.0 7.1 140.0 1.0 141.0 2.6 142.0 1.0 143.0 2.1 168.0 15.9 169.0 2.3 170.0 15.8 171.0 2.4 177.0 8.4 179.0 10.9 181.0 2.6 192.0 4.5 194.0 6.0 196.0 1.5 203.0 1.3 204.0 27.9 205.0 3.7 206.0 35.7 207.0 3.0 208.0 8.9 220.0 37.1 221.0 2.8 222.0 48.6 223.0 3.5 224.0 11.9 234.0 1.5 236.0 2.0 250.0 76.8 251.0 6.2 252.0 100.0 253.0 7.5 254.0 24.2 255.0 1.9
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C6 H4 Br Cl N2 O2 0.035 g : 0.5 ml DMSO-d6 2-bromo-6-chloro-4-nitroaniline 
Assign. Shift(ppm)
A 8.240 B 8.144 C 6.90
Hz ppm Int.3294.56 8.244 879 3292.11 8.238 1000 3256.23 8.148 980 3253.66 8.142 890 2759.16 6.904 655
in DMSO-d6
KBr disk
nujol mull
