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10895

Sigma-Aldrich

Ethyl 2-chloroacetoacetate

produced by Wacker Chemie AG, Burghausen, Germany, ≥96% (GC)

Synonym(s):

2-Cl-ACE

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About This Item

Linear Formula:
CH3COCHClCOOC2H5
CAS Number:
609-15-4
Molecular Weight:
164.59
Beilstein:
774278
EC Number:
210-180-4
MDL number:
MFCD00009141
UNSPSC Code:
12352100
PubChem Substance ID:
57646831
NACRES:
NA.22

grade

produced by Wacker Chemie AG, Burghausen, Germany

Assay

≥96% (GC)

refractive index

n20/D 1.441 (lit.)

bp

107 °C/14 mmHg (lit.)

density

1.19 g/mL at 25 °C (lit.)

SMILES string

CCOC(=O)C(Cl)C(C)=O

InChI

1S/C6H9ClO3/c1-3-10-6(9)5(7)4(2)8/h5H,3H2,1-2H3

InChI key

RDULEYWUGKOCMR-UHFFFAOYSA-N

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Application

Ethyl 2-chloroacetoacetate was used to study reductive dechlorination of β-keto ester ethyl 2-chloroacetoacetate by Saccharomyces cerevisiae.

Biochem/physiol Actions

Ethyl 2-chloroacetoacetate reacts with thiosemicarbazones to form heterocyclic substituted thiophene derivatives having non-steroidal anti-inflammatory activity.

Other Notes

prices for bulk quantities on request

Signal Word

Danger

Hazard Statements

H302,H314,H335,H400

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Acute 1 - Eye Dam. 1 - Skin Corr. 1A - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

179.6 °F

Flash Point(C)

82 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Synthesis and antiinflammatory activity of novel 2, 5-disubstituted thiophene derivatives.
Badr SMI.
Turkish Journal of Chemistry, 35(1), 131-143 (2011)
P M Flanagan et al.
Journal of molecular biology, 206(2), 295-304 (1989-03-20)
The Tn3-encoded resolvase protein promotes a site-specific recombination reaction between two directly repeated copies of the recombination site res. Several inhibitors that block this event in vitro have been isolated. In this study four of these inhibitors were tested on
Gerhard Jörg et al.
Chembiochem : a European journal of chemical biology, 5(1), 87-92 (2003-12-26)
Saccharomyces cerevisiae reduces the beta-keto ester ethyl 2-chloroacetoacetate to the respective chiral cis- and trans-beta-hydroxy esters. In the course of chiral reduction, competing dehalogenation of the xenobiotic substrate to ethyl acetoacetate occurs, in a reaction mediated by cytosolic glutathione (GSH).

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