CLOPROP-SODIUM

Details

Stereochemistry	RACEMIC
Molecular Formula	C9H8ClO3.Na
Molecular Weight	222.601
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].CC(OC1=CC=CC(Cl)=C1)C([O-])=O

InChI

InChIKey=PQLKACKDEKQZLU-UHFFFAOYSA-M

InChI=1S/C9H9ClO3.Na/c1-6(9(11)12)13-8-4-2-3-7(10)5-8;/h2-6H,1H3,(H,11,12);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	C9H8ClO3
Molecular Weight	199.611
Charge	-1
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
Count

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

Approval Year

PubMed

Title	Date	PubMed
Analysis of some chlorophenoxy acids and carbamate herbicides in water and soil as amide derivatives using gas chromatography-mass spectrometry.	2007-03	17462127
Determination of the absolute configuration of chiral alpha-aryloxypropanoic acids using vibrational circular dichroism studies: 2-(2-chlorophenoxy) propanoic acid and 2-(3-chlorophenoxy) propanoic acid.	2005-05	15820866

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:54:44 GMT 2025` Edited by `admin` on `Mon Mar 31 21:54:44 GMT 2025`
Record UNII	K3H74E3Q6S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FRUITONE CPA 528

Preferred Name

English

CLOPROP-SODIUM

Common Name

English

2-(3-CHLOROPHENOXY)PROPANOIC ACID SODIUM SALT

Systematic Name

English

EPA PESTICIDE CHEMICAL CODE 021202

Code

English

PROPANOIC ACID, 2-(3-CHLOROPHENOXY)-, SODIUM SALT

Systematic Name

English

2-(M-CHLOROPHENOXY)PROPIONIC ACID, SODIUM SALT

Systematic Name

English

PROPANOIC ACID, 2-(3-CHLOROPHENOXY)-, SODIUM SALT (1:1)

Systematic Name

English

PROPIONIC ACID, 2-(M-CHLOROPHENOXY)-, SODIUM SALTS

Common Name

English

3-CPA, SODIUM SALT

Common Name

English

J1.601.780I

Code

English

SODIUM 2-(3-CHLOROPHENOXY)PROPANOATE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID9032660

Created by admin on Mon Mar 31 21:54:44 GMT 2025 , Edited by admin on Mon Mar 31 21:54:44 GMT 2025

PRIMARY

FDA UNII

K3H74E3Q6S

Created by admin on Mon Mar 31 21:54:44 GMT 2025 , Edited by admin on Mon Mar 31 21:54:44 GMT 2025

PRIMARY

CAS

53404-22-1

Created by admin on Mon Mar 31 21:54:44 GMT 2025 , Edited by admin on Mon Mar 31 21:54:44 GMT 2025

PRIMARY

PUBCHEM

23707513

Created by admin on Mon Mar 31 21:54:44 GMT 2025 , Edited by admin on Mon Mar 31 21:54:44 GMT 2025

PRIMARY

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ACTIVE MOIETY

Comments:

Stereoconfiguration is determined to be (+)-(R).

Qualification:

Scientific Literature