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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

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.

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

>235.4 °F - closed cup

Flash Point(C)

> 113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

363774-BULK:
363774-VAR:
363774-25G:
363774-100G:

Certificates of Analysis (COA)

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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)
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

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