Methyl 2,2,4-trichloro-3-oxobutyrate

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C5H5Cl3O3
Molecular Weight	219.45
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Methyl 2,2,4-trichloro-3-oxobutyrate

Structure Search

SMILES

COC(=O)C(Cl)(Cl)C(=O)CCl

InChI

InChIKey=IQTNMFRCFNHMHF-UHFFFAOYSA-N

InChI=1S/C5H5Cl3O3/c1-11-4(10)5(7,8)3(9)2-6/h2H2,1H3

HIDE SMILES / InChI

Molecular Formula	C5H5Cl3O3
Molecular Weight	219.45
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 18:49:46 GMT 2025` Edited by `admin` on `Tue Apr 01 18:49:46 GMT 2025`
Record UNII	J8A3D7KH7W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Butanoic acid, 2,2,4-trichloro-3-oxo-, methyl ester

Preferred Name

English

Methyl 2,2,4-trichloro-3-oxobutyrate

Systematic Name

English

Methyl 2,2,4-trichloro-3-oxobutanoate

Systematic Name

English

Code System Code Type Description

PUBCHEM

3020453

Created by admin on Tue Apr 01 18:49:46 GMT 2025 , Edited by admin on Tue Apr 01 18:49:46 GMT 2025

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EPA CompTox

DTXSID60234304

Created by admin on Tue Apr 01 18:49:46 GMT 2025 , Edited by admin on Tue Apr 01 18:49:46 GMT 2025

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ECHA (EC/EINECS)

285-851-8

Created by admin on Tue Apr 01 18:49:46 GMT 2025 , Edited by admin on Tue Apr 01 18:49:46 GMT 2025

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FDA UNII

J8A3D7KH7W

Created by admin on Tue Apr 01 18:49:46 GMT 2025 , Edited by admin on Tue Apr 01 18:49:46 GMT 2025

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CAS

85153-68-0

Created by admin on Tue Apr 01 18:49:46 GMT 2025 , Edited by admin on Tue Apr 01 18:49:46 GMT 2025

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