Sodium 4-chloro-3-nitrobenzenesulfonate

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H3ClNO5S.Na
Molecular Weight	259.599
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Sodium 4-chloro-3-nitrobenzenesulfonate

Structure Search

SMILES

[Na+].[O-][N+](=O)C1=CC(=CC=C1Cl)S([O-])(=O)=O

InChI

InChIKey=POUGKTDTYSAMAT-UHFFFAOYSA-M

InChI=1S/C6H4ClNO5S.Na/c7-5-2-1-4(14(11,12)13)3-6(5)8(9)10;/h1-3H,(H,11,12,13);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	C6H3ClNO5S
Molecular Weight	236.61
Charge	-1
Count

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

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

Substance Class	Chemical Created by `admin` on `Tue Apr 01 20:17:17 GMT 2025` Edited by `admin` on `Tue Apr 01 20:17:17 GMT 2025`
Record UNII	4ZNE7E5C39
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BENZENESULFONIC ACID, 4-CHLORO-3-NITRO-, SODIUM SALT

Preferred Name

English

Sodium 4-chloro-3-nitrobenzenesulfonate

Systematic Name

English

Sodium 1-chloro-2-nitrobenzene-4-sulfonate

Systematic Name

English

Benzenesulfonic acid, 4-chloro-3-nitro-, sodium salt (1:1)

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

241-680-0

Created by admin on Tue Apr 01 20:17:17 GMT 2025 , Edited by admin on Tue Apr 01 20:17:17 GMT 2025

PRIMARY

FDA UNII

4ZNE7E5C39

Created by admin on Tue Apr 01 20:17:17 GMT 2025 , Edited by admin on Tue Apr 01 20:17:17 GMT 2025

PRIMARY

PUBCHEM

87246

Created by admin on Tue Apr 01 20:17:17 GMT 2025 , Edited by admin on Tue Apr 01 20:17:17 GMT 2025

PRIMARY

EPA CompTox

DTXSID5066245

Created by admin on Tue Apr 01 20:17:17 GMT 2025 , Edited by admin on Tue Apr 01 20:17:17 GMT 2025

PRIMARY

CAS

17691-19-9

Created by admin on Tue Apr 01 20:17:17 GMT 2025 , Edited by admin on Tue Apr 01 20:17:17 GMT 2025

PRIMARY

Related Record Type Details


					8B8TXV456R

4-Chloro-3-nitrobenzenesulfonic acid

PARENT -> SALT/SOLVATE

Amount: