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Methyl 3-bromobenzoate

ALDRICH/499625 - 98%

CAS Number: 618-89-3
Empirical Formula (Hill Notation): C8H7BrO2
Molecular Weight: 215.04
EC Number: 210-569-9
MDL Number: MFCD00017777
Linear Formula: BrC6H4CO2CH3
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-499625-5G 5 g
 $41.90
1/EA		 Add To Favorites
45-499625-25G 25 g
 $67.00
1/EA		 Add To Favorites

 

assay 98%
bp 127-128 °C/15 mmHg (lit.)
InChI 1S/C8H7BrO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3
InChI key KMFJVYMFCAIRAN-UHFFFAOYSA-N
mp 31-33 °C (lit.)
SMILES string COC(=O)c1cccc(Br)c1
General description: Methyl 3-bromobenzoate is an aryl bromide. It undergoes stereoconvergent cross-coupling with potassium trifluoro(1-phenylethyl)borate to form 1,1-diarylethane derivative. The Negishi cross-coupling reaction between methyl 3-bromobenzoate and diarylzinc reagents in the presence of a palladium catalyst has been reported. Methyl-3-bromobenzoate can be converted into the corresponding benzonitrile using dichloro[bis{1-(dicyclohexylphosphanyl)piperidine}]palladium as a C-C cross-coupling catalyst and K4[Fe(CN)6] as a cyanating agent.
Packaging: 5, 25 g in glass bottle
RIDADR NONH for all modes of transport
WGK Germany WGK 3
Flash Point(F) Not applicable
Flash Point(C) Not applicable
Purity 98%
bp 127-128 °C/15 mmHg (lit.)
mp 31-33 °C (lit.)
UNSPSC 12352100

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