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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H6ClNO5S
Molecular Weight 251.644
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-CHLORO-5-NITROTOLUENE-4-SULFONIC ACID

SMILES

CC1=C(Cl)C=C(C(=C1)[N+]([O-])=O)S(O)(=O)=O

InChI

InChIKey=JTZLIGVBEAGAFZ-UHFFFAOYSA-N
InChI=1S/C7H6ClNO5S/c1-4-2-6(9(10)11)7(3-5(4)8)15(12,13)14/h2-3H,1H3,(H,12,13,14)

HIDE SMILES / InChI

Molecular Formula C7H6ClNO5S
Molecular Weight 251.644
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 19:11:50 GMT 2025
Edited
by admin
on Tue Apr 01 19:11:50 GMT 2025
Record UNII
X9S6T5RD7D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-36951
Preferred Name English
2-CHLORO-5-NITROTOLUENE-4-SULFONIC ACID
Systematic Name English
5-CHLORO-4-METHYL-2-NITROBENZENESULPHONIC ACID
Systematic Name English
2-CHLORO-5-NITRO-1-TOLUENE-4-SULFONIC ACID
Common Name English
BENZENESULPHONIC ACID, 5-CHLORO-4-METHYL-2-NITRO-
Systematic Name English
BENZENESULFONIC ACID, 5-CHLORO-4-METHYL-2-NITRO-
Common Name English
2-CHLORO-5-NITRO-1-TOLUENE-4-SULPHONIC ACID
Common Name English
2-CHLORO-5-NITROTOLUENE-4-SULPHONIC ACID
Systematic Name English
5-CHLORO-4-METHYL-2-NITROBENZENESULFONIC ACID
Systematic Name English
Code System Code Type Description
NSC
36951
Created by admin on Tue Apr 01 19:11:50 GMT 2025 , Edited by admin on Tue Apr 01 19:11:50 GMT 2025
PRIMARY
EPA CompTox
DTXSID6064531
Created by admin on Tue Apr 01 19:11:50 GMT 2025 , Edited by admin on Tue Apr 01 19:11:50 GMT 2025
PRIMARY
PUBCHEM
81452
Created by admin on Tue Apr 01 19:11:50 GMT 2025 , Edited by admin on Tue Apr 01 19:11:50 GMT 2025
PRIMARY
CAS
6973-13-3
Created by admin on Tue Apr 01 19:11:50 GMT 2025 , Edited by admin on Tue Apr 01 19:11:50 GMT 2025
PRIMARY
FDA UNII
X9S6T5RD7D
Created by admin on Tue Apr 01 19:11:50 GMT 2025 , Edited by admin on Tue Apr 01 19:11:50 GMT 2025
PRIMARY
ECHA (EC/EINECS)
230-216-2
Created by admin on Tue Apr 01 19:11:50 GMT 2025 , Edited by admin on Tue Apr 01 19:11:50 GMT 2025
PRIMARY