3-Bromotoluene, 98%, Thermo Scientific Chemicals
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3-Bromotoluene, 98%, Thermo Scientific Chemicals
Thermo Scientific Chemicals

3-Bromotoluene, 98%, Thermo Scientific Chemicals

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Catalog number A13990.36
also known as A13990-36
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Chemical Identifiers
CAS591-17-3
IUPAC Name1-bromo-3-methylbenzene
Molecular FormulaC7H7Br
InChI KeyWJIFKOVZNJTSGO-UHFFFAOYSA-N
SMILESCC1=CC=CC(Br)=C1
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SpecificationsSpecification SheetSpecification Sheet
FormLiquid
Appearance (Color)Clear colorless to yellow
Assay (GC)≥97.5%
Refractive Index1.5505-1.5545 @ 20?C
Identification (FTIR)Conforms
3-Bromotoluene was used in the precise determination of bromine isotope ratio in organic compounds by MC-ICPMS ( Multicollector-Inductively Coupled Plasma Mass Spectrometer). It undergoes palladium-catalyzed cyanation reaction in the presence of K4[Fe(CN)6] as the cyanide surrogate. It also undergoes palladium-catalyzed reaction with alkynyltriarylborates to yield trisubstituted alkenylboranes.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
3-Bromotoluene was used in the precise determination of bromine isotope ratio in organic compounds by MC-ICPMS ( Multicollector-Inductively Coupled Plasma Mass Spectrometer). It undergoes palladium-catalyzed cyanation reaction in the presence of K4[Fe(CN)6] as the cyanide surrogate. It also undergoes palladium-catalyzed reaction with alkynyltriarylborates to yield trisubstituted alkenylboranes.

Solubility
Not miscible in water. Soluble in alcohols, ether and benzene.

Notes
Stable under recommended storage conditions. Incompatible with oxidizing agents.
RUO – Research Use Only

General References:

  1. Pui Yee Yeung; Chun Pui Tsang; Fuk Yee Kwong. Efficient cyanation of aryl bromides with K4[Fe(CN)6] catalyzed by a palladium-indolylphosphine complex. Tetrahedron Letters. 2011, 52,(52), 7038-7041.
  2. Faina Gelman; Ludwik Halicz. High precision determination of bromine isotope ratio by GC-MC-ICPMS. International Journal of Mass Spectrometry. 2010, 289,(2-3), 167-169.