4-(Trifluoromethoxy)benzyl bromide(50824-05-0) IR1
Product Name4-(Trifluoromethoxy)benzyl bromide
CAS50824-05-0
Molecular FormulaC8H6BrF3O
Molecular Weight255.03
InChIInChI=1S/C8H6BrF3O/c9-5-6-1-3-7(4-2-6)13-8(10,11)12/h1-4H,5H2
InChIKey JDNPUJCKXLOHOW-UHFFFAOYSA-N
SmilesC1(CBr)=CC=C(OC(F)(F)F)C=C1
-
MassMS-KW-0547 alpha-bromo-4-(trifluoromethoxy)benzene C8H6BrF3O (Mass of molecular ion: 254)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
39.0 1.6 50.0 2.6 51.0 5.0 52.0 3.3 63.0 1.6 69.0 10.1 77.0 3.2 78.0 7.7 83.0 2.9 89.0 1.3 90.0 1.1 106.0 1.1 109.0 8.8 169.0 1.9 171.0 1.8 175.0 100.0 176.0 9.0 254.0 1.1 256.0 1.1
400 MHz in CDCl3
-
1H NMR 399.65 MHz C8H6BrF3O 0.05 ml : 0.5 ml CDCl3 4-(trifluoromethoxy)benzyl bromide 
Assign. Shift(ppm)
A 7.399 B 7.170 C 4.453
Hz ppm Int.2965.21 7.418 68 2962.41 7.411 441 2960.21 7.405 157 2955.82 7.394 175 2953.74 7.389 491 2950.81 7.382 70 2870.49 7.181 287 2869.63 7.178 306 2861.70 7.159 254 2860.97 7.157 232 1780.03 4.453 1000
in CDCl3
Liquid film
