Ethyl 3-(2,4-dichlorophenyl)-3-oxopropanoate

HCID 542007CAS 60868-41-9

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Basic information

Standard SMILES: CCOC(=O)CC(=O)c1ccc(Cl)cc1Cl
InChIKey: QJVFFNRCSJWXPE-UHFFFAOYSA-N
Molecular formula: C11H10Cl2O3
Average molar mass: 261.1 g/mol
Monoisotopic mass: 260.00069954

Names & identifiers

Preferred name: Ethyl 3-(2,4-dichlorophenyl)-3-oxopropanoate
IUPAC: ethyl 3-(2,4-dichlorophenyl)-3-oxopropanoate
English name: 3-(2,4-Dichloro-phenyl)-3-oxo-propionic acid ethyl ester
Molecular formula: C11H10Cl2O3
Molecular weight: 261.1

Names & synonyms

Ethyl 3-(2,4-dichlorophenyl)-3-oxopropanoate60868-41-9DTXSID60337344RefChem:343113DTXCID50288432MFCD034248293-(2,4-Dichloro-phenyl)-3-oxo-propionic acid ethyl esterSCHEMBL953973Ethyl (2,4-dichlorobenzoyl)acetateBenzenepropanoic acid, 2,4-dichloro-b-oxo-, ethyl esterEthyl 3-(24-dichlorophenyl)-3-oxopropanoate3-(2,4-dichlorophenyl)-3-oxo-propionic acid ethyl ester

Show more names

Ethyl 2-(2,4-dichlorobenzoyl)acetateEthyl 2,4-dichloro-β-oxobenzenepropanoateBenzenepropanoic acid,2,4-dichloro-b-oxo-,ethyl esterBenzenepropanoic acid, 2,4-dichloro-β-oxo-, ethyl ester2,4-Dichloro-beta-oxo-Benzenepropanoic acid ethyl ester

ethyl 2-chloroBCP21761AM1096Ethyl 2,4-dichloro-b-oxo-benzenepropanoateSCHEMBL29364863Ethyl 2',4'-Dichlorobenzoylacetateethyl 2-chloro-p-chlorobenzoylacetateAKOS009260437

Database identifiers

CAS: 60868-41-9
PubChem CID: 542007
DTXSID: DTXSID60337344
EC Number: 673-427-9
Nikkaji: J686.928I

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 16
Formal charge: 0
Complexity: 268

Physicochemical properties

Boiling point: 323 ℃ · 323℃
Density: 1.319 · 1.319
Flash point: 128 ℃ · 128℃
storage temp.: Sealed in dry,Room Temperature
Appearance: Light yellow to yellow Solid
Symbol(GHS): 7 · GHS07,GHS02
Signal word: Warning
Hazard statements: 315 · H315-H319-H226
Precautionary statements: 501 · P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07,GHS02
Hazard statements: H315-H319-H226
Precautionary statements: P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235