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363774

Sigma-Aldrich

Ethyl 4-bromobenzoate

98%

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About This Item

Linear Formula:
BrC6H4CO2C2H5
CAS Number:
5798-75-4
Molecular Weight:
229.07
EC Number:
227-347-2
MDL number:
MFCD00016329
UNSPSC Code:
12352100
PubChem Substance ID:
24862216
NACRES:
NA.22

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Quality Level

200

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.)

functional group

bromo
ester

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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This Item
49962513397312268
Ethyl 4-bromobenzoate 98%

Sigma-Aldrich

363774

Ethyl 4-bromobenzoate

Methyl 3-bromobenzoate 98%

Sigma-Aldrich

499625

Methyl 3-bromobenzoate

Ethyl bromoacetate reagent grade, 98%

Sigma-Aldrich

133973

Ethyl bromoacetate

Ethyl benzimidate hydrochloride ≥97.0% (AT)

Sigma-Aldrich

12268

Ethyl benzimidate hydrochloride

assay

98%

assay

98%

assay

98%

assay

≥97.0% (AT)

Quality Level

200

Quality Level

200

Quality Level

200

Quality Level

100

form

liquid

form

-

form

liquid

form

-

refractive index

n20/D 1.544 (lit.)

refractive index

-

refractive index

n20/D 1.451 (lit.)

refractive index

-

bp

131 °C/14 mmHg (lit.)

bp

127-128 °C/15 mmHg (lit.)

bp

159 °C (lit.)

bp

-

density

1.403 g/mL at 25 °C (lit.)

density

-

density

1.506 g/mL at 25 °C (lit.)

density

-

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.[1] Reaction of ethyl 4-bromobenzoate and substituted benzyl chloride with zinc dust and a Pd catalyst is reported.[2]

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

>235.4 °F - closed cup

flash_point_c

> 113 °C - closed cup

ppe

Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
SDBB3702
STBL0140
BCCG6880
BCCC5712
BCBX5372

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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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