Product Name4-Bromo-2-nitrotoluene
CAS60956-26-5
Molecular FormulaC7H6BrNO2
Molecular Weight216.03
InChIInChI=1S/C7H6BrNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3
InChIKey KZNXALJXBRSMFL-UHFFFAOYSA-N
SmilesC1(C)=CC=C(Br)C=C1[N+]([O-])=O
Mass
MS-IW-9443 4-bromo-2-nitrotoluene C7H6BrNO2 (Mass of molecular ion: 215)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 1.9 28.0 3.7 29.0 1.0 30.0 3.1 37.0 2.6 38.0 5.7 39.0 18.4 40.0 2.2 43.0 1.9 44.0 1.6 49.0 1.3 50.0 8.0 51.0 10.8 52.0 2.9 53.0 1.0 61.0 3.6 62.0 11.0 63.0 36.0 64.0 10.2 65.0 2.8 74.0 3.8 75.0 4.6 76.0 2.4 77.0 9.5 78.0 20.4 79.0 1.7 85.0 1.4 86.0 2.8 87.0 2.9 88.0 2.7 89.0 64.6 90.0 100.0 91.0 33.3 92.0 4.4 106.0 1.5 117.0 2.4 118.0 3.0 119.0 26.5 120.0 2.2 143.0 7.3 145.0 7.0 157.0 1.2 168.0 3.3 169.0 12.8 170.0 19.9 171.0 14.8 172.0 16.6 173.0 2.6 198.0 72.5 199.0 6.6 200.0 71.0 201.0 6.2 215.0 24.6 216.0 2.1 217.0 23.8 218.0 2.0
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C7 H6 Br N O2 | 0.039 g : 0.5 ml CDCl3 |
4-bromo-2-nitrotoluene |
Assign. Shift(ppm) |
Hz ppm Int.
3243.65 8.117 235 3241.46 8.111 235 3050.90 7.634 130 3048.83 7.629 128 3042.72 7.614 145 3040.65 7.609 141 2896.85 7.249 161 2896.12 7.247 162 2888.67 7.229 143 2887.94 7.227 147 1021.85 2.557 997 1021.48 2.556 1000
in CDCl3
KBr disc
nujol mull
4-Bromo-2-nitrotoluene(60956-26-5) IR1 Atlas of Related Products
HomePage | Member Companies | Advertising | Contact us | Previous WebSite | MSDS | CAS Index | CAS DataBase
Copyright © 2017 ChemicalBook All rights reserved.