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Ethyl 2-chloroacetoacetate

Ethyl 2-chloroacetoacetate structure

CAS No:
609-15-4
Formula:
C6H9ClO3
Chemical Name:
Ethyl 2-chloroacetoacetate
Synonyms:
Butanoic acid,2-chloro-3-oxo-,ethyl ester;Acetoacetic acid,2-chloro-,ethyl ester;Ethyl 2-chloracetoacetate;Ethyl α-chloroacetoacetate;Ethyl 2-chloroacetoacetate;2-Chloroacetoacetic acid ethyl ester;2-Chloro-3-oxobutyric acid ethyl ester;Ethyl 2-chloro-3-oxobutanoate;2-Chloro-3-oxobutanoic acid ethyl ester;Ethyl 2-chloro-3-oxobutyrate;Ethyl α-chloroacetylacetate;A 21960;NSC 78426;121181-21-3;150010-45-0
Categories:
Agrochemicals > Pesticide Intermediates

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Description

clear bright yellow liquid

Ethyl 2-chloroacetoacetate Basic Attributes

Molecular Weight：

164.59

Exact Mass：

164.59

BRN：

774278

EC Number：

210-180-4

NSC Number：

78426

DSSTox ID：

DTXSID3049330

HScode：

29183000

Characteristics

PSA：

43.4

XLogP3：

1.1

Appearance：

Clear yellow Liquid

Density：

1.172 g/cm³

Melting Point：

-80 °C

Boiling Point：

88-89 °C @ Press: 11 Torr

Flash Point：

122 °F

Water Solubility：

H2O: 17 g/L (20 ºC)

Safety Information

Packing level：

Ⅱ

Hazard category：

3.2

Transport codes：

UN 2920 8/PG 2

wgk germany：

hazard class code：

10-22-34-52/53-36/37/38-36

safety instructions：

16-26-36/37/39-45-61-37/39

Marks：

C,Xn,F

Hazard note：

Corrosive

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P260, P264, P270, P273, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P370+P378, P391, P403+P235, P405, P501

Hazard Statements：

H226

GHS Classification：

|Danger|H226 (29.71%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P260, P264, P270, P273, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P370+P378, P391, P403+P235, P405, and P501|Aggregated GHS information provided by 138 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

A 21960

Ethyl 2-chloroacetoacetate Use and Manufacturing

Methods of Manufacturing

The preparation method is to obtain α-chloroethyl acetoacetate by chlorination of ethyl acetoacetate. Equal molar ratio of ethyl acetoacetate and sulfuryl chloride are respectively dissolved in an appropriate amount of solvent, and the sulfuryl chloride solution is added dropwise to ethyl acetoacetate under low temperature, stirring and negative pressure, and then stirring is continued for several hours. The reactant was washed with saturated brine, and the water layer was separated. After the oil layer was dried with anhydrous magnesium sulfate, it was desolventized and distilled under reduced pressure. The distilled product at 96～99℃/4～4.7kPa was collected, which is α-chloro Ethyl acetoacetate. The chlorinating agent in this reaction can also be replaced by chlorine.

Uses

α-Chloroacetoacetate is used to synthesize 3-chloro-4-methyl coumarin, an intermediate of organophosphorus insecticide muscarin.

Manufacturing Info：

Butanoic acid, 2-chloro-3-oxo-, ethyl ester: ACTIVE

Computed Properties

Molecular Weight:164.59
XLogP3:1.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:164.0240218
Monoisotopic Mass:164.0240218
Topological Polar Surface Area:43.4
Heavy Atom Count:10
Complexity:144
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Magnesium sulfate heptahydrate

Ethyl acetate

Ethanol

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Ethyl 2-chloroacetoacetate

CAS No.: 609-15-4

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Best Price Top Quality C6h9clo3 CAS No. 609-15-4 Ethyl2-Chloroacetoacetate

CAS No.: 609-15-4

Grade: Agricultural Grade

Content: 99.9%

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Guide of Ethyl 2-chloroacetoacetate

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
Latest News
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Ethyl 2-chloroacetoacetate

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