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2-Bromotoluene

ALDRICH/B82006 - 99%

CAS Number: 95-46-5
Empirical Formula (Hill Notation): C7H7Br
Molecular Weight: 171.03
EC Number: 202-421-7
MDL Number: MFCD00000068
Linear Formula: CH3C6H4Br
Product Type: Chemical

Catalog Number PKG Qty. Price Quantity
45-B82006-25G 25 g
$57.20
1/EA
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45-B82006-100G 100 g
$165.00
1/EA
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assay 99%
bp 58-60 °C/10 mmHg (lit.)
density 1.422 g/mL at 25 °C (lit.)
form liquid
InChI 1S/C7H7Br/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
InChI key QSSXJPIWXQTSIX-UHFFFAOYSA-N
mp −27 °C (lit.)
Quality Level 100 
refractive index n20/D 1.555 (lit.)
SMILES string Cc1ccccc1Br
storage temp. 2-8°C
Application: 2-Bromotoluene was used in the synthesis of (±)-isocomene.
General description: 2-Bromotoluene is an an electron rich heteroaryl bromide. Heck reactions of 2-bromo toluene with cycloalkene (cyclododecene) and linear alkenes (dec-1-ene, allylbenzene) catalyzed by tedicyp (cis,cis,cis -1,2,3,4-tetrakis(diphenylphosphinomethyl)cyclopentane)-palladium complex has been studied. Vibrational spectral analysis of 2-bromobenzene by Raman and infrared spectroscopy at 50-4000cm-1 has been investigated. Suzuki cross-coupling of 2-bromobenzene with benzeneboronic acid catalyzed by the Tedicyp-palladium complex has been studied. Suzuki coupling of 2-bromotoluene with phenylboronic acid using palladium nanoparticles supported on alumina-based oxides as catalyst has been reported.
Packaging: 25, 100 g in glass bottle
Purity 99%
bp 58-60 °C/10 mmHg (lit.)
mp −27 °C (lit.)
Density 1.422 g/mL at 25 °C (lit.)
Refractive Index n20/D 1.555 (lit.)
Storage Temp. 2-8°C
UNSPSC 12352100

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