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Ethyl 4-chloroacetoacetate

Ethyl 4-chloroacetoacetate structure

CAS No:
638-07-3
Formula:
C6H9ClO3
Chemical Name:
Ethyl 4-chloroacetoacetate
Synonyms:
Butanoic acid,4-chloro-3-oxo-,ethyl ester;Acetoacetic acid,4-chloro-,ethyl ester;γ-Chloroacetoacetic acid ethyl ester;Ethyl 4-chloroacetoacetate;Ethyl γ-chloroacetoacetate;Ethyl ω-chloroacetoacetate;Ethyl 4-chloro-3-oxobutanoate;Ethyl 4-chloro-3-oxobutyrate;4-Chloroacetoacetic acid ethyl ester;Ethyl (chloroacetyl)acetate;4-Chloro-3-oxobutyric acid ethyl ester;4-Chloro-3-oxobutanoic acid ethyl ester;4-Chloro acetoethylacetate;Ethyl 3-oxo-4-chlorobutanoate;Ethyl chloroacetoacetate
Categories:
Chemical Reagents > Organic Reagents

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Description

Ethyl 4-chloroacetoacetate is colorless to pale reddish-yellow clear liquid

Ethyl 4-chloroacetoacetate Basic Attributes

Molecular Weight：

164.58700

Exact Mass：

164.59

EC Number：

211-317-0

UNII：

5AE82250CM

DSSTox ID：

DTXSID4044454

HScode：

2918990090

Characteristics

PSA：

43.37000

XLogP3：

0.74750

Appearance：

Clear colorless to pale yellow red liquid. Acetic odor.

Density：

1.2182 g/cm³ @ Temp: 16 °C

Melting Point：

-8 °C

Boiling Point：

107 °C @ Press: 14 Torr

Flash Point：

96ºC

Refractive Index：

1.451-1.453

Water Solubility：

H2O: 47.5 g/L (20 ºC)

Storage Conditions：

2-8ºC

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 2922

wgk germany：

hazard class code：

R24/25; R34; R51/53

safety instructions：

S26-S36/37/39-S45-S61

RTECS Number：

AK5110000

Marks：

T; N

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P280-P301 + P310-P305 + P351 + P338-P310

Hazard Statements：

H301-H314

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P261, P262, P264, P270, P272, P273, P280, P301+P310, P301+P330+P331, P302+P350, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P333+P313, P361, P363, P391, P405, and P501|Aggregated GHS information provided by 68 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

COBE cpd

Ethyl 4-chloroacetoacetate Use and Manufacturing

Uses

Ethyl-4-chloracetoacetate (CAAEt) is used as intermediate for organic syntheses, e.g. ethyl 4-chloro-3-arylaminocrotonates, diethyl succinylsuccinate, 2-alkyl-4-hydroxy-6-chloromethylpyrimidines, 4- chloromethylcoumarines. Product Data Sheet

Manufacturing Info：

Butanoic acid, 4-chloro-3-oxo-, ethyl ester: ACTIVE

Computed Properties

Molecular Weight:164.59
XLogP3:0.9
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:164.0240218
Monoisotopic Mass:164.0240218
Topological Polar Surface Area:43.4
Heavy Atom Count:10
Complexity:133
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Benzaldehyde

Ethanol

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Guide of Ethyl 4-chloroacetoacetate

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
Latest News
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Ethyl 4-chloroacetoacetate

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