CAS No.609-15-4,Ethyl 2-chloroacetoacetate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	609-15-4
Name:	Ethyl 2-chloroacetoacetate
Article Data:	64

Formula:	C₆H₉ClO₃
Molecular Weight:	164.589
Synonyms:	Acetoaceticacid, 2-chloro-, ethyl ester (6CI,7CI,8CI);2-Chloro-3-oxobutanoic acid ethylester;2-Chloro-3-oxobutyric acid ethyl ester;2-Chloroacetoacetic acid ethylester;A 21960;Ethyl 2-chloro-3-oxobutanoate;Ethyl2-chloro-3-oxobutyrate;Ethyl 2-chloroacetoacetate;Ethyl a-chloroacetoacetate;Ethyl a-chloroacetylacetate;NSC 78426;
EINECS:	210-180-4
Density:	1.176 g/cm³
Melting Point:	-80 °C
Boiling Point:	225.5 °C at 760 mmHg
Flash Point:	50 °C
Solubility:	17 g/L (20 °C) in water
Appearance:	clear bright yellow liquid
Hazard Symbols:	C, Xn, F
Risk Codes:	10-22-34-52/53-36/37/38-36
Safety:	16-26-36/37/39-45-61-37/39
Transport Information:	UN 2920 8/PG 2
PSA:	43.37000
LogP:	0.74590

Synthetic route

: 141-97-9
ethyl acetoacetate

: 609-15-4
ethyl 2-chloro-3-oxo-butyrate

Conditions

Conditions	Yield
With thionyl chloride In tetrachloromethane at 20℃; for 1h;	100%
With sulfuryl dichloride In dichloromethane at 0 - 20℃;	98.4%
With sulfuryl dichloride In tetrachloromethane at 20℃; for 1h;	97%

: 141-97-9
ethyl acetoacetate

A: 6134-66-3
ethyl 2,2-dichloroacetoacetate

B: 85153-67-9
ethyl 2,2,4-trichloro-3-oxobutyrate

C: 609-15-4
ethyl 2-chloro-3-oxo-butyrate

Conditions

Conditions	Yield
With chlorine at 55 - 60℃; for 9h; Product distribution; Mechanism; dinamics of chlorination of acetoacetic ester, products in the mixture on the time;	A 97% B n/a C n/a
With chlorine at 55 - 60℃;	A 97% B n/a C n/a
With hydrogenchloride; sodium chloride at 22 - 25℃; for 8.5h; electrolysis, ruthenium-titanum oxide anode, current 7 A;	A 92% B 3% C n/a

...Expand

: 20412-62-8, 66279-49-0
ethyl 3-oxobutanate sodium salt

: 609-15-4
ethyl 2-chloro-3-oxo-butyrate

Conditions

Conditions	Yield
With tetrachloromethane In dimethyl sulfoxide for 16h; Heating; at 20 - 25 deg C in different bipolar aprotic solvents;	46%

: 674-82-8
4-methyleneoxetan-2-one

: 64-17-5
ethanol

: 67-66-3
chloroform

: 112160-74-4
acetic acid-(2,4,N-trichloro-anilide)

: 609-15-4
ethyl 2-chloro-3-oxo-butyrate

...Expand

: 674-82-8
4-methyleneoxetan-2-one

: 64-17-5
ethanol

: 112160-74-4
acetic acid-(2,4,N-trichloro-anilide)

: 609-15-4
ethyl 2-chloro-3-oxo-butyrate

Conditions

Conditions	Yield
With chloroform

...Expand

: 60-29-7
diethyl ether

: 625-01-4
ethyl chlorosulfate

: 1007476-32-5
sodium ethyl acetylacetate enolate

: 609-15-4
ethyl 2-chloro-3-oxo-butyrate

...Expand

: 60-29-7
diethyl ether

: 625-01-4
ethyl chlorosulfate

: 1007476-32-5
sodium ethyl acetylacetate enolate

A: 609-15-4
ethyl 2-chloro-3-oxo-butyrate

B: 2049-86-7
Diethyl 2,3-diacetylsuccinate

...Expand

: 60930-76-9
2-chloro-3-oxobutanenitrile

: 609-15-4
ethyl 2-chloro-3-oxo-butyrate

Conditions

Conditions	Yield
With sulfuric acid anschliessend mit H2O;

: 1007476-32-5
sodium ethyl acetylacetate enolate

: 98-59-9
p-toluenesulfonyl chloride

: 609-15-4
ethyl 2-chloro-3-oxo-butyrate

: 75-44-5
phosgene

: 1007476-32-5
sodium ethyl acetylacetate enolate

: 71-43-2
benzene

: 609-15-4
ethyl 2-chloro-3-oxo-butyrate

...Expand

Raw Materials

141-97-9

104690-31-5

67-66-3

71-43-2

98-59-9

60930-76-9

141-78-6

625-01-4

Downstream Products

622-59-3

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Chemistry

IUPAC Name: ethyl 2-chloro-3-oxobutanoate
Empirical Formula: C₆H₉ClO₃
Molecular Weight: 164.5869g/mol
EINECS: 210-180-4
Structure of Butanoicacid, 2-chloro-3-oxo-, ethyl ester (CAS NO.609-15-4):

Index of Refraction: 1.434
Molar Refractivity: 36.45 cm³
Molar Volume: 139.9 cm³
Polarizability: 14.45×10^-24cm³
Surface Tension: 33.4 dyne/cm
Density: 1.176 g/cm³
Flash Point: 50 °C
Enthalpy of Vaporization: 46.21 kJ/mol
Melting Point: -80 °C
Boiling Point: 225.5 °C at 760 mmHg
Vapour Pressure: 0.086 mmHg at 25°C
Water Solubility: 17 g/L (20 ºC)
Product Categories: Pharmaceutical Intermediates;Drug Intermediates;Aliphatics;C6 to C7;Carbonyl Compounds;Esters
Canonical SMILES: CCOC(=O)C(C(=O)C)Cl
InChI: InChI=1S/C6H9ClO3/c1-3-10-6(9)5(7)4(2)8/h5H,3H2,1-2H3
InChIKey: RDULEYWUGKOCMR-UHFFFAOYSA-N

Safety Profile

Hazard Codes: Corrosive C, Harmful Xn,F
Risk Statements: 10-22-34-52/53-36/37/38-36
R10:Flammable.
R22:Harmful if swallowed.
R34:Causes burns.
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
R36/37/38:Irritating to eyes, respiratory system and skin.
R36:Irritating to eyes.
Safety Statements: 16-26-36/37/39-45-61-37/39
S16:Keep away from sources of ignition.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
S37/39:Wear suitable gloves and eye/face protection.
RIDADR: UN 2920 8/PG 2
WGK Germany: 2
F: 19
Hazard Note: Corrosive
HazardClass: 3.2
PackingGroup: III
HS Code: 29183000

Specification

Butanoicacid, 2-chloro-3-oxo-, ethyl ester , its cas register number is 609-15-4. It also can be called 2-Chloro-3-oxobutanoic acid, ethyl ester ; 2-Chloro-3-oxobutyric acid ethyl ester ; 2-Chloroacetoacetic acid ethyl ester ; CCRIS 6889 ;
Ethyl 2-chloro-3-oxobutanoate ; Ethyl 2-chloroacetoacetate ; Ethyl alpha-chloroacetoacetate ; Ethyl-2-chloracetoacetate ;
NSC 78426 . Butanoicacid, 2-chloro-3-oxo-, ethyl ester (CAS NO.609-15-4) is a clear bright yellow liquid.