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559261

Ethyl (3-bromobenzoyl)acetate

Name: Ethyl (3-bromobenzoyl)acetate
Brand: ALDRICH

95%

Synonym(s):

Ethyl 3-(3-bromophenyl)-3-oxopropanoate, 3-Bromo-β-oxo-benzenepropanoic acid ethyl ester

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About This Item

Linear Formula:

BrC₆H₄COCH₂CO₂C₂H₅

CAS Number:

21575-91-7

Molecular Weight:

271.11

NACRES:

NA.22

PubChem Substance ID:

24879810

UNSPSC Code:

12352100

MDL number:

MFCD03424812

Assay:

95%

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Properties

assay

95%

refractive index

n20/D 1.565 (lit.)

bp

255-256 °C (lit.)

density

1.416 g/mL at 25 °C (lit.)

functional group

bromo, ester, ketone

SMILES string

CCOC(=O)CC(=O)c1cccc(Br)c1

InChI

1S/C11H11BrO3/c1-2-15-11(14)7-10(13)8-4-3-5-9(12)6-8/h3-6H,2,7H2,1H3

InChI key

JSVMCOQPWKQNGU-UHFFFAOYSA-N

Description

Application

Reactant involved in synthesis of:

Aroylbenzoxepinones for analgesic activity
(Heteroaryl)(carboxamido)arylpyrrole derivatives with Cdc7 kinase inhibitory activity
Cambinol analogs for sirtuin inhibition and antitumor activity
TunePhos-type diphosphine ligands via asymmetric hydrogenation

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves

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