Back
HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 77294Generated: October 23, 2026

Ethyl 4,4,4-trichloro-3-oxobutyrate

ETHYL 4,4,4-TRICHLOROACETOACETATE · ethyl 4,4,4-trichloro-3-oxobutyrate · ethyl 4,4,4-trichloro-3-oxobutanoate · ethyl 4,4,4-trichloro-3-oxo-butanoate · 4,4,4-TRICHLOROACETIC ACID ETHYL ESTER · 4,4,4-Trichloroacetoacetic acid ethyl ester · 4,4,4-Trichloro-3-oxobutyric acid ethyl ester · 4,4,4-Trichloro-3-oxobutanoic acid ethyl ester

https://huagongshe.com/en/chemical/77294

Ethyl 4,4,4-trichloro-3-oxobutyrate molecular structure

Identifiers & Physical Properties

CAS No.3702-98-5
Molecular formulaC6H7Cl3O3
Average molar mass233.5 g/mol
Monoisotopic mass231.94607712 g/mol
SMILESCCOC(=O)CC(=O)C(Cl)(Cl)Cl
InChIKeyXGIRWPYENXRJMZ-UHFFFAOYSA-N
PubChem CID77294
EC No.223-041-8
DTXSIDDTXSID90190520

Chemical & Physical Properties

XLogP2.1
Topological polar surface area43.4
Hydrogen bond donors0
Hydrogen bond acceptors3
Rotatable bonds4
Heavy atoms12
Formal charge0
Complexity185
Melting point126-127.5 °C(Solv: ligroine (8032-32-4))
Boiling point224-226 °C (lit.)
Density1.389 g/mL at 20 °C (lit.)
Refractive indexn20/D 1.470
pKa (acidity coefficient)7.95±0.46(Predicted)
Physical stateclear liquid
ColorColorless to Almost colorless
BRN1779520
InChI1S/C6H7Cl3O3/c1-2-12-5(11)3-4(10)6(7,8)9/h2-3H2,1H3
InChIKeyXGIRWPYENXRJMZ-UHFFFAOYSA-N
SMILESCCOC(=O)CC(=O)C(Cl)(Cl)Cl
UNSPSC Code12352100
NACRESNA.22
GHS pictogramGHS07
Signal wordWarning
GHS hazard statementsH315-H319-H227
GHS precautionary statementsP501-P210-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P403+P235
Personal protective equipment (PPE)Eyeshields, Gloves
Safety statements (S)23-24/25
Water hazard class (WGK)3
Customs code2918.30.9000
Storage class12 - Non Combustible Liquids

Safety & Regulations

GHS classificationWarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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 Classes and CategoriesSkin Irrit. 2 (100%)
Personal protective equipment (PPE)Eyeshields, Gloves
Water hazard class (WGK)3
Customs code2918.30.9000
Signal wordWarning
GHS pictogramGHS07
Safety statements (S)23-24/25
Storage class12 - Non Combustible Liquids
GHS hazard statementsH315-H319-H227
GHS precautionary statementsP501-P210-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P403+P235

Applications & Uses

Uses

Ethyl 4,4,4-Trichloro-3-oxobutanoate is a reagent used in the sunthesis of heterocyclic compounds.