All Photos(1)
Linear Formula:
BrC6H4CO2C2H5
CAS Number:
Molecular Weight:
229.07
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
Assay
98%
form
liquid
refractive index
n20/D 1.544 (lit.)
bp
131 °C/14 mmHg (lit.)
density
1.403 g/mL at 25 °C (lit.)
SMILES string
CCOC(=O)c1ccc(Br)cc1
InChI
1S/C9H9BrO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
InChI key
XZIAFENWXIQIKR-UHFFFAOYSA-N
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General description
Ethyl 4-bromobenzoate is an ester having electron-withdrawing substituent. It undergoes reduction with potassium diisobutyl-t-butoxyaluminum hydride (PDBBA) at 0°C to yield aldehydes. Reaction of ethyl 4-bromobenzoate and substituted benzyl chloride with zinc dust and a Pd catalyst is reported.
WGK
WGK 3
Flash Point(F)
>235.4 °F
Flash Point(C)
> 113 °C
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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Christophe Duplais et al.
Chemical communications (Cambridge, England), 46(4), 562-564 (2010-01-12)
A remarkably simple entry to unsymmetrical diarylmethanes has been developed that relies on an in situ organozinc-mediated, palladium-catalyzed cross-coupling. Thus, by mixing a benzyl and aryl halide together in the presence of Zn metal and a Pd catalyst, diarylmethanes are
Chemoselective Reduction of Esters to Aldehydes by Potassium Diisobutyl-t-butoxyaluminum Hydride (PDBBA).
Chae MJ, et al.
Bull. Korean Chem. Soc., 28(12), 2517-2517 (2007)
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