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| CAS No.: | 609-15-4 |
|---|---|
| Name: | Ethyl 2-chloroacetoacetate |
| Article Data: | 64 |
| Cas Database | |
| Molecular Structure: | |
|
|
|
| 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 |
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| 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 | 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 |
- 20412-62-8, 66279-49-0
ethyl 3-oxobutanate sodium salt
- 609-15-4
ethyl 2-chloro-3-oxo-butyrate
| 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
- 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 | Yield |
|---|---|
| With chloroform |
- 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
- 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
- 60930-76-9
2-chloro-3-oxobutanenitrile
- 609-15-4
ethyl 2-chloro-3-oxo-butyrate
| 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
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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: 
C,
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.