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Benzyl bromide is an organic compound with the formula C 6 H 5 CH 2 Br. The molecule consists of a benzene ring substituted with a bromomethyl group. It is a colorless liquid with lachrymatory properties.
Benzyl is not to be confused with phenyl with the formula C 6 H 5. The term benzylic is used to describe the position of the first carbon bonded to a benzene or other aromatic ring. For example, (C 6 H 5)(CH 3) 2 C + is referred to as a "benzylic" carbocation. The benzyl free radical has the formula C 6 H 5 CH 2 •.
The mass spectrum of methylbromide has two prominent peaks of equal intensity at m/z 94 (M) and 96 (M+2) and then two more at 79 and 81 belonging to the bromine fragment. Even when compounds only contain elements with less intense isotope peaks ( carbon or oxygen ), the distribution of these peaks can be used to assign the spectrum to the ...
The tropylium ion is frequently encountered in mass spectrometry in the form of a signal at m/z = 91 and is used in mass spectrum analysis. This fragment is often found for aromatic compounds containing a benzyl unit. Upon ionization, the benzyl fragment forms a cation (PhCH + 2), which rearranges to the highly stable tropylium cation (C 7 H ...
The bond lengths between carbon atoms in a phenyl group are approximately 1.4 Å. [6] In 1 H-NMR spectroscopy, protons of a phenyl group typically have chemical shifts around 7.27 ppm. These chemical shifts are influenced by aromatic ring current and may change depending on substituents.
Bromotoluenes are aryl bromides based on toluene in which at least one aromatic hydrogen atom is replaced with a bromine atom. They have the general formula C 7 H 8–n Br n, where n = 1–5 is the number of bromine atoms.
Electron ionization mass spectrum of toluene. Note parent peak corresponding to molecular mass M = 92 (C 7 H 8 +) and highest peak at M-1 = 91 (C 7 H 7 +, quasi-stable tropylium cation). A mass spectrum is a histogram plot of intensity vs. mass-to-charge ratio (m/z) in a chemical sample, [1] usually acquired using an instrument called a mass ...
The compound's most noteworthy structural feature is the long carbon-carbon bond of 1.54 Å, which indicates the absence of pi-bonding between the two carbonyl centers.The PhCO centers are planar, but the pair of benzoyl groups are twisted with respect to the other with a dihedral angle of 117°. [5]