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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 •.
Isotope peaks within a spectrum can help in structure elucidation. Compounds containing halogens (especially chlorine and bromine) can produce very distinct isotope peaks. 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.
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.
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 ...
Structure Systematic name: 1-bromo-2-methylbenzene 1-bromo-3-methylbenzene 1-bromo-4-methylbenzene Molecular formula: C 7 H 7 Br (C 6 H 4 BrCH 3) Molar mass: 171.03 g/mol Appearance colorless liquid colorless liquid white crystalline solid CAS number [95-46-5] [591-17-3] [106-38-7] Properties Density and phase: 1.431 g/ml, liquid 1.4099 g/ml ...
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]