Methyl 2,2-dichloroacetoacetate

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C5H6Cl2O3
Molecular Weight	185.005
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Methyl 2,2-dichloroacetoacetate

Structure Search

SMILES

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

InChI

InChIKey=ACSFRJMUABMPHG-UHFFFAOYSA-N

InChI=1S/C5H6Cl2O3/c1-3(8)5(6,7)4(9)10-2/h1-2H3

HIDE SMILES / InChI

Molecular Formula	C5H6Cl2O3
Molecular Weight	185.005
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 19:15:53 GMT 2025` Edited by `admin` on `Tue Apr 01 19:15:53 GMT 2025`
Record UNII	3PT5XU9PDS
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Butanoic acid, 2,2-dichloro-3-oxo-, methyl ester

Preferred Name

English

Methyl 2,2-dichloroacetoacetate

Systematic Name

English

Methyl 2,2-dichloro-3-oxobutanoate

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

228-105-9

Created by admin on Tue Apr 01 19:15:53 GMT 2025 , Edited by admin on Tue Apr 01 19:15:53 GMT 2025

PRIMARY

PUBCHEM

80218

Created by admin on Tue Apr 01 19:15:53 GMT 2025 , Edited by admin on Tue Apr 01 19:15:53 GMT 2025

PRIMARY

FDA UNII

3PT5XU9PDS

Created by admin on Tue Apr 01 19:15:53 GMT 2025 , Edited by admin on Tue Apr 01 19:15:53 GMT 2025

PRIMARY

CAS

6134-69-6

Created by admin on Tue Apr 01 19:15:53 GMT 2025 , Edited by admin on Tue Apr 01 19:15:53 GMT 2025

PRIMARY

EPA CompTox

DTXSID60210249

Created by admin on Tue Apr 01 19:15:53 GMT 2025 , Edited by admin on Tue Apr 01 19:15:53 GMT 2025

PRIMARY