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Details

Stereochemistry ACHIRAL
Molecular Formula C7H6ClNO4S
Molecular Weight 235.645
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-NITROTOLUENE-2-SULFONYL CHLORIDE

SMILES

CC1=CC(=CC=C1S(Cl)(=O)=O)[N+]([O-])=O

InChI

InChIKey=WREICNIHNBOUJV-UHFFFAOYSA-N
InChI=1S/C7H6ClNO4S/c1-5-4-6(9(10)11)2-3-7(5)14(8,12)13/h2-4H,1H3

HIDE SMILES / InChI

Molecular Formula C7H6ClNO4S
Molecular Weight 235.645
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 19:07:20 GMT 2025
Edited
by admin
on Tue Apr 01 19:07:20 GMT 2025
Record UNII
Q2FS3Q3W6X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-NITROTOLUENE-2-SULFONYL CHLORIDE
Systematic Name English
NSC-123519
Preferred Name English
O-TOLUENESULFONYL CHLORIDE, 4-NITRO-
Common Name English
BENZENESULFONYL CHLORIDE, 2-METHYL-4-NITRO-
Systematic Name English
2-METHYL-4-NITROBENZENESULFONYL CHLORIDE
Systematic Name English
Code System Code Type Description
NSC
123519
Created by admin on Tue Apr 01 19:07:20 GMT 2025 , Edited by admin on Tue Apr 01 19:07:20 GMT 2025
PRIMARY
ECHA (EC/EINECS)
244-332-6
Created by admin on Tue Apr 01 19:07:20 GMT 2025 , Edited by admin on Tue Apr 01 19:07:20 GMT 2025
PRIMARY
FDA UNII
Q2FS3Q3W6X
Created by admin on Tue Apr 01 19:07:20 GMT 2025 , Edited by admin on Tue Apr 01 19:07:20 GMT 2025
PRIMARY
PUBCHEM
88869
Created by admin on Tue Apr 01 19:07:20 GMT 2025 , Edited by admin on Tue Apr 01 19:07:20 GMT 2025
PRIMARY
CAS
21320-90-1
Created by admin on Tue Apr 01 19:07:20 GMT 2025 , Edited by admin on Tue Apr 01 19:07:20 GMT 2025
PRIMARY
EPA CompTox
DTXSID90175594
Created by admin on Tue Apr 01 19:07:20 GMT 2025 , Edited by admin on Tue Apr 01 19:07:20 GMT 2025
PRIMARY