3,5-Bis(trifluoromethyl)benzyl bromide(32247-96-4) Raman
Product Name3,5-Bis(trifluoromethyl)benzyl bromide
CAS32247-96-4
Molecular FormulaC9H5BrF6
Molecular Weight307.03
InChIInChI=1S/C9H5BrF6/c10-4-5-1-6(8(11,12)13)3-7(2-5)9(14,15)16/h1-3H,4H2
InChIKey ATLQGZVLWOURFU-UHFFFAOYSA-N
SmilesC1(CBr)=CC(C(F)(F)F)=CC(C(F)(F)F)=C1
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MassMS-NW-9778 1-bromomethyl-3,5-bis(trifluoromethyl)benzene C9H5BrF6 (Mass of molecular ion: 306)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
63.0 1.2 69.0 1.1 104.0 1.9 107.0 1.1 127.0 1.3 137.0 1.2 138.0 2.8 139.0 1.1 157.0 1.5 158.0 4.6 176.0 1.0 177.0 10.0 187.0 4.7 207.0 3.6 208.0 3.5 226.0 1.2 227.0 100.0 228.0 9.9 287.0 3.6 289.0 3.5 306.0 1.0 308.0 1.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H5 Br F6 0.05 ml : 0.5 ml CDCl3 1-bromomethyl-3,5-bis(trifluoromethyl)benzene 
Assign. Shift(ppm)
A 7.857 B 7.826 C 4.539
Hz ppm Int.3140.14 7.858 512 3127.69 7.827 232 1814.09 4.540 1000
in CDCl3
liquid film
