U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C6H4ClNO5S
Molecular Weight 237.618
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Chloro-3-nitrobenzenesulfonic acid

SMILES

OS(=O)(=O)C1=CC=C(Cl)C(=C1)[N+]([O-])=O

InChI

InChIKey=RPKWNMFDAOACCX-UHFFFAOYSA-N
InChI=1S/C6H4ClNO5S/c7-5-2-1-4(14(11,12)13)3-6(5)8(9)10/h1-3H,(H,11,12,13)

HIDE SMILES / InChI

Molecular Formula C6H4ClNO5S
Molecular Weight 237.618
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 Sat Dec 16 13:18:39 GMT 2023
Edited
by admin
on Sat Dec 16 13:18:39 GMT 2023
Record UNII
8B8TXV456R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-Chloro-3-nitrobenzenesulfonic acid
Common Name English
1-Chloro-2-nitrobenzene-4-sulfonic acid
Systematic Name English
NSC-7827
Code English
3-Nitro-4-chlorobenzenesulfonic acid
Systematic Name English
o-Nitrochlorobenzene-p-sulfonic acid
Systematic Name English
BENZENESULFONIC ACID, 4-CHLORO-3-NITRO-
Common Name English
2-Nitrochlorobenzene-4-sulfonic acid
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
204-452-1
Created by admin on Sat Dec 16 13:18:39 GMT 2023 , Edited by admin on Sat Dec 16 13:18:39 GMT 2023
PRIMARY
EPA CompTox
DTXSID7059519
Created by admin on Sat Dec 16 13:18:39 GMT 2023 , Edited by admin on Sat Dec 16 13:18:39 GMT 2023
PRIMARY
NSC
7827
Created by admin on Sat Dec 16 13:18:39 GMT 2023 , Edited by admin on Sat Dec 16 13:18:39 GMT 2023
PRIMARY
FDA UNII
8B8TXV456R
Created by admin on Sat Dec 16 13:18:39 GMT 2023 , Edited by admin on Sat Dec 16 13:18:39 GMT 2023
PRIMARY
PUBCHEM
67132
Created by admin on Sat Dec 16 13:18:39 GMT 2023 , Edited by admin on Sat Dec 16 13:18:39 GMT 2023
PRIMARY
CAS
121-18-6
Created by admin on Sat Dec 16 13:18:39 GMT 2023 , Edited by admin on Sat Dec 16 13:18:39 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
SALT/SOLVATE -> PARENT