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3-Bromotoluene

ALDRICH/167215 - 98%

CAS Number: 591-17-3
Empirical Formula (Hill Notation): C7H7Br
Molecular Weight: 171.03
EC Number: 209-702-3
MDL Number: MFCD00000085
Linear Formula: CH3C6H4Br
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-167215-25G 25 g
 $0.00
1/EA
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45-167215-100G 100 g
 $182.00
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This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 167215-100G.

 

assay 98%
bp 183.7 °C (lit.)
density 1.41 g/mL at 25 °C (lit.)
form liquid
functional group bromo
InChI 1S/C7H7Br/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
InChI key WJIFKOVZNJTSGO-UHFFFAOYSA-N
mp −40 °C (lit.)
Quality Level 100 
refractive index n20/D 1.552 (lit.)
SMILES string Cc1cccc(Br)c1
Application: 3-Bromotoluene was used in the precise determination of bromine isotope ratio in organic compounds by MC-ICPMS ( Multicollector-Inductively Coupled Plasma Mass Spectrometer).
General description: 3-Bromotoluene is an electron-rich aryl bromide. It participates in the Heck reaction. 3-Bromotoluene undergoes palladium-catalyzed cyanation reaction in the presence of K4[Fe(CN)6] as the cyanide surrogate. It undergoes palladium-catalysed reaction with alkynyltriarylborates to yield trisubstituted alkenylboranes.
Packaging: 25, 100 g in glass bottle
Purity 98%
bp 183.7 °C (lit.)
mp −40 °C (lit.)
Density 1.41 g/mL at 25 °C (lit.)
Refractive Index n20/D 1.552 (lit.)
UNSPSC 12352100

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