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609-15-4

609-15-4 Structure

609-15-4 Structure
IdentificationMore
[Name]

Ethyl 2-chloroacetoacetate
[CAS]

609-15-4
[Synonyms]

2-CHLOROACETOACETIC ACID ETHYL ESTER
2-CL-ACE
A-CHLOROACETOACETIC ESTER
AKOS BBS-00004302
ETHYL 2-CHLOROACETOACETATE
ETHYL ALPHA-CHLOROACETOACETATE
ETHYL CHLOROACETOACETATE
2-Chloro-3-oxobutanoic acid, ethyl ester
2-chloro-3-oxo-butanoicaciethylester
2-Chloro-3-oxobutyric acid ethyl ester
Acetoacetic acid, 2-chloro-, ethyl ester
Ethyl 2-chloracetoacetate
Ethyl 2-chloro-3-oxobutanoate
ethyl2-chloroacettoacetate
ETHYL 2-CHLOROACETOACETATE, WACKERQUALIT Y
Ethyl2-chloroacetoacetate,97%
2-CHLORO-3-OXOBUTANOIC ACID
ETHYL A-CHLORO-ACETOACETATE
2-CHLORACETYLETHYL ACETATE
Butanoic acid, 2-chloro-3-oxo-, ethyl ester
[EINECS(EC#)]

210-180-4
[Molecular Formula]

C6H9ClO3
[MDL Number]

MFCD00009141
[Molecular Weight]

164.59
[MOL File]

609-15-4.mol
Chemical PropertiesBack Directory
[Appearance]

Clear yellow liquid
[Melting point ]

-80 °C
[Boiling point ]

107 °C/14 mmHg (lit.)
[density ]

1.19 g/mL at 25 °C(lit.)
[vapor pressure ]

49.4-100Pa at 20℃
[refractive index ]

n20/D 1.441(lit.)
[Fp ]

122 °F
[storage temp. ]

Inert atmosphere,2-8°C
[solubility ]

Chloroform (Sparingly), Ethyl Acetate (Slightly)
[form ]

Liquid
[pka]

7.92±0.46(Predicted)
[color ]

Clear yellow
[Water Solubility ]

17 g/L (20 ºC)
[BRN ]

774278
[LogP]

1.2 at 20℃ and pH1-7
[Surface tension]

69.4mN/m at 1g/L and 20℃
[CAS DataBase Reference]

609-15-4(CAS DataBase Reference)
[NIST Chemistry Reference]

Butanoic acid, 2-chloro-3-oxo-, ethyl ester(609-15-4)
[EPA Substance Registry System]

609-15-4(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

C,Xn,F
[Risk Statements ]

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 the eyes.
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
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 label where possible) .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S37/39:Wear suitable gloves and eye/face protection .
[RIDADR ]

UN 2920 8/PG 2
[WGK Germany ]

2
[F ]

19
[Hazard Note ]

Corrosive
[TSCA ]

Yes
[HazardClass ]

3.2
[PackingGroup ]

III
[HS Code ]

29183000
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Magnesium sulfate-->Ethyl acetoacetate-->Sulfuryl chloride-->2-CHLORO-3-OXO-BUTYRONITRILE-->Butanoic acid, 2-chloro-3-oxo--->Tosyl chloride-->Acetyl ketene-->Ethyl chloroacetate
[Preparation Products]

4-METHYL-1,3-OXAZOLE-5-CARBOXYLIC ACID-->4-METHYLOXAZOLE-5-CARBONYL CHLORIDE-->TERT-BUTYL 4-(5-FORMYL-4-METHYL-1,3-THIAZOL-2-YL)PIPERIDINE-1-CARBOXYLATE-->2,4-Dimethylthiazole-5-carboxylic acid-->3,5-DIMETHYL-3H-IMIDAZOLE-4-CARBOXYLIC ACID ETHYL ESTER-->ETHYL 2-CHLORO-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE-->4-METHYL-2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOLE-5-CARBALDEHYDE-->4-METHYL-2-PHENYL-1,3-THIAZOLE-5-CARBONYL CHLORIDE-->4-METHYL-2-PHENYL-1,3-THIAZOLE-5-CARBOXYLIC ACID-->Ethyl 2-amino-4-methylthiazole-5-carboxylate-->ETHYL 4-METHYL-2-PHENYL-1,3-THIAZOLE-5-CARBOXYLATE-->Methyl 2-chloroacetoacetate-->ethyl 2,4-dichloro-3-oxobutyrate-->Oxiracetam-->2-CHLORO-2-HYDROXYIMINOACETIC ACID ETHYL ESTER
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Chloroacetoacetic acid ethyl ester(609-15-4).msds
Hazard InformationBack Directory
[Chemical Properties]

clear bright yellow liquid
[Uses]

Ethyl 2-chloroacetoacetate was used to study reductive dechlorination of β-keto ester ethyl 2-chloroacetoacetate by Saccharomyces cerevisiae.
[Biochem/physiol Actions]

Ethyl 2-chloroacetoacetate reacts with thiosemicarbazones to form heterocyclic substituted thiophene derivatives having non-steroidal anti-inflammatory activity.
[Synthesis]

Using ethyl acetoacetate and thionyl chloride as raw materials, the condensation reaction is carried out in the presence of a solvent. The dosage ratio of ethyl acetoacetate, thionyl chloride, and solvent is 1:1.37~2.75:2.31~4.62 by mass, the temperature of the condensation reaction is 75~95°C, and the reaction time is 5.5-9h. After stopping the reaction, evaporate most of the solvent and unreacted thionyl chloride under normal pressure, and then distill the remaining organic phase under reduced pressure to collect the 107-108°C/1.87kPa fraction to obtain Ethyl 2-chloroacetoacetate Products. The solvents used were n-heptane or, dichloroethane or toluene.
Spectrum DetailBack Directory
[Spectrum Detail]

Ethyl 2-chloroacetoacetate(609-15-4)MS
Ethyl 2-chloroacetoacetate(609-15-4)1HNMR
Ethyl 2-chloroacetoacetate(609-15-4)13CNMR
Ethyl 2-chloroacetoacetate(609-15-4)IR1
Ethyl 2-chloroacetoacetate(609-15-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Ethyl 2-chloroacetoacetate, 97%(609-15-4)
[Alfa Aesar]

Ethyl 2-chloroacetoacetate, 96%(609-15-4)
[Sigma Aldrich]

609-15-4(sigmaaldrich)
[TCI AMERICA]

Ethyl 2-Chloroacetoacetate,>95.0%(GC)(609-15-4)
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