Basic information
- CAS
6134-66-3- Standard SMILES
CCOC(=O)C(Cl)(Cl)C(C)=O- InChIKey
BLLMZKROLCVGEC-UHFFFAOYSA-N- Molecular formula
- C6H8Cl2O3
- Average molar mass
- 199.03 g/mol
- Monoisotopic mass
- 197.9850495
Names & identifiers
- Preferred name
- Ethyl 2,2-dichloroacetoacetate
- IUPAC
- ethyl 2,2-dichloro-3-oxobutanoate
- English name
- ethyl 2,2-dichloroacetoacetate
- Molecular formula
- C6H8Cl2O3
- Molecular weight
- 199.03
Names & synonyms
Ethyl 2,2-dichloroacetoacetateButanoic acid, 2,2-dichloro-3-oxo-, ethyl esterEINECS 228-104-3DTXSID00210248Acetoacetic acid, 2,2-dichloro-, ethyl esterEthyl .alpha.,.alpha.-dichloroacetoacetateRefChem:138509DTXCID00132739Ethyl alpha,alpha-dichloroacetoacetate228-104-3BLLMZKROLCVGEC-UHFFFAOYSA-NEthyl 2,2-dichloro-3-oxobutanoate
Show more names
Amlodipine Impurity 277-NaphthaleneethanamineIndomethacin Impurity 302,2-Dichloroacetoacetic acid ethyl ester2,2-Dichloro-3-oxobutyric acid ethyl ester2,2-Dichloro-3-oxobutanoic acid ethyl esterEthyl 2,2-dichloro-3-oxobutanoate - [E71803]
6134-66-3C6H8Cl2O3MFCD00129136SCHEMBL33144552,2-dichloro-aA868730Butanoic acid,2,2-dichloro-3-oxo-, ethyl esterEthyl2,2-dichloro-3-oxobutanoate
Database identifiers
- CAS
6134-66-3- PubChem CID
- 80217
- DTXSID
DTXSID00210248- EC Number
- 228-104-3
- Nikkaji
- J99.660B
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 177
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 285.68 °C · 285.68°C (rough estimate)
- Density
- 1.292 · 1.2920
- refractive index
- 1.4492 · 1.4492 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Sparingly), Ethyl Acetate (Slightly)
- form
- liquid
- color
- Colourless to light yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227
- Precautionary statements
- 501 · P501-P210-P280-P370+P378-P403+P235
- RIDADR
- 2920 · 2920
- PackingGroup
- Ⅲ
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: Butanoic acid, 2,2-dichloro-3-oxo-, ethyl ester
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesFlam. Liq. 3 (50%)
Safety data
- ridadr
- 2920
- hs_code
- 2918300090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- packing_group
- Ⅲ
- Hazard statements
- H227
- Precautionary statements
- P501-P210-P280-P370+P378-P403+P235
Chemistry & industry
Applications
UsesEthyl 2,2-dichloroacetoacetate is an organic synthesis intermediate, mainly used in the synthesis of pesticides, medicines, dyes and other chemicals.
Upstream & downstream products
Upstream raw materials
Suppliers61 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海策嵘生物科技有限公司[email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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