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559261

Sigma-Aldrich

Ethyl (3-bromobenzoyl)acetate

95%

Synonym(s):

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

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About This Item

Linear Formula:
BrC6H4COCH2CO2C2H5
CAS Number:
21575-91-7
Molecular Weight:
271.11
MDL number:
MFCD03424812
UNSPSC Code:
12352100
PubChem Substance ID:
24879810
NACRES:
NA.22

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

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 Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKBW4127V
MKBS1971V
MKBG2429V
MKBF8174V
MKBC8992

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