Isopropyl dichloroacetate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C5H8Cl2O2
Molecular Weight	171.022
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Isopropyl dichloroacetate

Structure Search

SMILES

CC(C)OC(=O)C(Cl)Cl

InChI

InChIKey=JBTISLVNJCYZCH-UHFFFAOYSA-N

InChI=1S/C5H8Cl2O2/c1-3(2)9-5(8)4(6)7/h3-4H,1-2H3

HIDE SMILES / InChI

Molecular Formula	C5H8Cl2O2
Molecular Weight	171.022
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 18:49:05 GMT 2025` Edited by `admin` on `Tue Apr 01 18:49:05 GMT 2025`
Record UNII	L9JFS96QE3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-Methylethyl 2,2-dichloroacetate

Preferred Name

English

Isopropyl dichloroacetate

Systematic Name

English

Acetic acid, 2,2-dichloro-, 1-methylethyl ester

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID10179711

Created by admin on Tue Apr 01 18:49:05 GMT 2025 , Edited by admin on Tue Apr 01 18:49:05 GMT 2025

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PUBCHEM

90683

Created by admin on Tue Apr 01 18:49:05 GMT 2025 , Edited by admin on Tue Apr 01 18:49:05 GMT 2025

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ECHA (EC/EINECS)

246-561-7

Created by admin on Tue Apr 01 18:49:05 GMT 2025 , Edited by admin on Tue Apr 01 18:49:05 GMT 2025

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CAS

25006-60-4

Created by admin on Tue Apr 01 18:49:05 GMT 2025 , Edited by admin on Tue Apr 01 18:49:05 GMT 2025

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FDA UNII

L9JFS96QE3

Created by admin on Tue Apr 01 18:49:05 GMT 2025 , Edited by admin on Tue Apr 01 18:49:05 GMT 2025

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