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Key Documents

245860

Sigma-Aldrich

Methyl 4-chloroacetoacetate

97%

Synonym(s):

γ-Chloroacetoacetic acid methyl ester, 4-Chloro-3-oxo-butyric acid methyl ester, 4-Chloro-3-oxobutanoic acid methyl ester, Methyl γ-chloroacetoacetate, Methyl (chloroacetyl)acetate, Methyl 3-oxo-4-chlorobutanoate, Methyl 4-chloro-3-oxobutyrate

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About This Item

Linear Formula:
ClCH2COCH2COOCH3
CAS Number:
Molecular Weight:
150.56
Beilstein:
1759939
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Assay

97%

form

liquid

refractive index

n20/D 1.456 (lit.)

bp

85 °C/4 mmHg (lit.)

density

1.305 g/mL at 25 °C (lit.)

SMILES string

COC(=O)CC(=O)CCl

InChI

1S/C5H7ClO3/c1-9-5(8)2-4(7)3-6/h2-3H2,1H3

InChI key

HFLMYYLFSNEOOT-UHFFFAOYSA-N

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Application

Reacts with symmetric allylic diacetates or dicarbonates in the presence of a palladium catalyst to give dihyrofurans.

Pictograms

Skull and crossbones

Signal Word

Danger

Hazard Statements

Precautionary Statements

Hazard Classifications

Acute Tox. 3 Oral

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

215.6 °F - closed cup

Flash Point(C)

102 °C - closed cup


Certificates of Analysis (COA)

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Synthesis, 39-39 (2007)

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