2-Bromo-4-nitrotoluene(7745-93-9) IR1
Product Name2-Bromo-4-nitrotoluene
CAS7745-93-9
Molecular FormulaC7H6BrNO2
Molecular Weight216.03
InChIInChI=1S/C7H6BrNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3
InChIKey XFZFJQHXWJIBQV-UHFFFAOYSA-N
SmilesC1(C)=CC=C([N+]([O-])=O)C=C1Br
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MassMS-NW-9386 2-bromo-4-nitrotoluene C7H6BrNO2 (Mass of molecular ion: 215)
Source Temperature: 140 °C Sample Temperature: 100 °C Direct, 75 eV
18.0 2.0 27.0 1.4 28.0 2.4 30.0 9.8 37.0 1.7 38.0 3.6 39.0 14.3 40.0 1.9 43.0 1.1 49.0 1.1 50.0 6.5 51.0 9.5 52.0 2.4 61.0 3.3 62.0 10.4 63.0 30.9 64.0 8.2 65.0 1.6 74.0 3.0 75.0 3.0 76.0 1.0 77.0 12.2 78.0 22.2 79.0 1.5 85.0 1.5 86.0 3.1 87.0 3.1 88.0 2.3 89.0 59.9 90.0 98.7 91.0 7.5 105.0 18.0 106.0 3.8 117.0 1.6 119.0 1.7 143.0 2.4 145.0 2.0 157.0 5.0 159.0 4.9 169.0 41.1 170.0 3.8 171.0 40.3 172.0 3.1 185.0 11.8 186.0 1.1 187.0 11.4 199.0 1.4 201.0 1.4 215.0 100.0 216.0 8.5 217.0 97.8 218.0 8.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H6 Br N O2 0.029 g : 0.5 ml CDCl3 2-bromo-4-nitrotoluene 
Assign. Shift(ppm)
A 8.403 B 8.075 C 7.406 D 2.508
Hz ppm Int.3359.74 8.407 215 3357.42 8.401 222 3232.91 8.090 116 3230.59 8.084 113 3224.61 8.069 124 3222.17 8.063 119 2964.60 7.418 155 2963.99 7.417 154 2956.30 7.398 146 1002.56 2.509 1000
in CDCl3
KBr disc
nujol mull
